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3-(piperidin-4-ylmethyl)phenol hydrochloride

3-(piperidin-4-ylmethyl)phenol hydrochloride

CAS: 782504-72-7

Formula: C12H18ClNO

SMILES: Cl.OC1=CC=CC(CC2CCNCC2)=C1

IUPAC: 3-[(piperidin-4-yl)methyl]phenol hydrochloride

InChI: InChI=1S/C12H17NO.ClH/c14-12-3-1-2-11(9-12)8-10-4-6-13-7-5-10;/h1-3,9-10,13-14H,4-8H2;1H

Composition: C (63.29%), H (7.97%), Cl (15.57%), N (6.15%), O (7.03%)

Molar Mass: 227.73

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.1076919
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey WWBDJCORYMHEKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.06
Topological Polar Surface Area 32.26
Polarizability 22.72
Ring Count 2
Rotatable Bond Count 2

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98% <7 Days 782504-72-7 $81.77-$2,129.00$81.77$153.18$256.68$423.32$804.20$1,304.10$2,129.00
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