2-(4-benzylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(4-benzylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

CAS: 544462-20-6

Formula: C19H26N2O3

SMILES: OC(=O)C1CCCCC1C(=O)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 2-(4-benzylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

InChI: InChI=1/C19H26N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24)

Composition: C (69.06%), H (7.93%), N (8.48%), O (14.53%)

Molar Mass: 330.428

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	330.194342705
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WFBJXOSYXVXMGA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.36
Topological Polar Surface Area	60.85
Polarizability	36.06
Ring Count	3
Rotatable Bond Count	4

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	544462-20-6		$212.83-$327.27$212.83$327.27