4-(piperidin-1-ylmethyl)benzoic acid hydrochloride

4-(piperidin-1-ylmethyl)benzoic acid hydrochloride

CAS: 159691-33-5

Formula: C13H18ClNO2

SMILES: Cl[H].OC(=O)C1=CC=C(CN2CCCCC2)C=C1

IUPAC: 4-[(piperidin-1-yl)methyl]benzoic acid hydrochloride

InChI: InChI=1S/C13H17NO2.ClH/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2,(H,15,16);1H

Composition: C (61.05%), H (7.09%), Cl (13.86%), N (5.48%), O (12.51%)

Molar Mass: 255.74

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.1026065
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CEKMTFUZGYEPQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64
Topological Polar Surface Area	40.54
Polarizability	24.49
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	159691-33-5		$113.28-$1,127.04$113.28$338.88$563.52$1,127.04