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3-(2-methoxyphenoxymethyl)piperidine hydrochloride

3-(2-methoxyphenoxymethyl)piperidine hydrochloride

CAS: 1185303-95-0

Formula: C13H20ClNO2

SMILES: Cl.COC1=C(OCC2CCCNC2)C=CC=C1

IUPAC: 3-[(2-methoxyphenoxy)methyl]piperidine hydrochloride

InChI: InChI=1/C13H19NO2.ClH/c1-15-12-6-2-3-7-13(12)16-10-11-5-4-8-14-9-11;/h2-3,6-7,11,14H,4-5,8-10H2,1H3;1H

Composition: C (60.58%), H (7.82%), Cl (13.75%), N (5.43%), O (12.41%)

Molar Mass: 257.76

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 257.1182566
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XMFBNIYLZFCLSU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.86
Topological Polar Surface Area 30.49
Polarizability 25.37
Ring Count 2
Rotatable Bond Count 4

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