3-[(3-benzylpiperazin-1-yl)methyl]benzoic acid hydrochloride

3-[(3-benzylpiperazin-1-yl)methyl]benzoic acid hydrochloride

Formula: C19H23ClN2O2

SMILES: Cl.OC(=O)C1=CC=CC(CN2CCNC(CC3=CC=CC=C3)C2)=C1

IUPAC: 3-[(3-benzylpiperazin-1-yl)methyl]benzoic acid hydrochloride

InChI: InChI=1/C19H22N2O2.ClH/c22-19(23)17-8-4-7-16(11-17)13-21-10-9-20-18(14-21)12-15-5-2-1-3-6-15;/h1-8,11,18,20H,9-10,12-14H2,(H,22,23);1H

Composition: C (65.79%), H (6.68%), Cl (10.22%), N (8.08%), O (9.23%)

Molar Mass: 346.86

Atom Count: 47

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	346.1448057
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JVJOGVNLRORPPL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.65
Topological Polar Surface Area	52.57
Polarizability	35.55
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C19H23ClN2O2		Quote Only