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4-hydroxy-3-(piperidin-1-ylmethyl)benzaldehyde hydrochloride

4-hydroxy-3-(piperidin-1-ylmethyl)benzaldehyde hydrochloride

CAS: 1135194-46-5

Formula: C13H18ClNO2

SMILES: Cl.OC1=C(CN2CCCCC2)C=C(C=O)C=C1

IUPAC: 4-hydroxy-3-[(piperidin-1-yl)methyl]benzaldehyde hydrochloride

InChI: InChI=1S/C13H17NO2.ClH/c15-10-11-4-5-13(16)12(8-11)9-14-6-2-1-3-7-14;/h4-5,8,10,16H,1-3,6-7,9H2;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 WSPIJGOTHPHZBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.31
Topological Polar Surface Area 40.54
Polarizability 24.67
Ring Count 2
Rotatable Bond Count 3

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