tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

CAS: 186650-98-6

Formula: C16H21N3O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)C#N

IUPAC: tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3

Composition: C (66.88%), H (7.37%), N (14.62%), O (11.14%)

Molar Mass: 287.363

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.163376928
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WIBWVYVIBJOVIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.96
Topological Polar Surface Area	56.57
Polarizability	31.05
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	186650-98-6		Quote Only

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	186650-98-6		$8.05-$152.95$8.05$31.05$152.95

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	186650-98-6		$8.28-$140.76$8.28$12.42$37.26$72.45$140.76

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	186650-98-6		$51.35-$510.20$51.35$63.37$86.31$272.03$510.20

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	186650-98-6		$526.00-$665.00$526.00$665.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	186650-98-6		$12.61-$296.34$12.61$60.53$296.34

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	186650-98-6		$17.25-$218.50$17.25$63.25$218.50