4-(1-methylpiperidin-4-yl)benzoic acid hydrochloride

4-(1-methylpiperidin-4-yl)benzoic acid hydrochloride

Formula: C13H18ClNO2

SMILES: Cl.CN1CCC(CC1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(1-methylpiperidin-4-yl)benzoic acid hydrochloride

InChI: InChI=1S/C13H17NO2.ClH/c1-14-8-6-11(7-9-14)10-2-4-12(5-3-10)13(15)16;/h2-5,11H,6-9H2,1H3,(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	AQETWMXWQOAEBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.03
Topological Polar Surface Area	40.54
Polarizability	24.42
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H18ClNO2		Quote Only