tert-butyl 3-({[3-(4-methylpiperazin-1-yl)propyl]amino}methyl)pyrrolidine-1-carboxylate

tert-butyl 3-({[3-(4-methylpiperazin-1-yl)propyl]amino}methyl)pyrrolidine-1-carboxylate

CAS: 887591-45-9

Formula: C18H36N4O2

SMILES: CN1CCN(CCCNCC2CCN(C2)C(=O)OC(C)(C)C)CC1

IUPAC: tert-butyl 3-({[3-(4-methylpiperazin-1-yl)propyl]amino}methyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C18H36N4O2/c1-18(2,3)24-17(23)22-9-6-16(15-22)14-19-7-5-8-21-12-10-20(4)11-13-21/h16,19H,5-15H2,1-4H3

Composition: C (63.49%), H (10.66%), N (16.45%), O (9.40%)

Molar Mass: 340.512

Atom Count: 60

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	340.283826415
Formal Charge	0
FSP3	0.94
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KAMNGPZTVSRJSW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.9
Topological Polar Surface Area	48.05
Polarizability	38.9
Ring Count	2
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887591-45-9		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00