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2-[2-(3-methylphenoxy)ethyl]piperidine

2-[2-(3-methylphenoxy)ethyl]piperidine

CAS: 946715-77-1

Formula: C14H21NO

SMILES: CC1=CC=CC(OCCC2CCCCN2)=C1

IUPAC: 2-[2-(3-methylphenoxy)ethyl]piperidine

InChI: InChI=1/C14H21NO/c1-12-5-4-7-14(11-12)16-10-8-13-6-2-3-9-15-13/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3

Composition: C (76.67%), H (9.65%), N (6.39%), O (7.29%)

Molar Mass: 219.328

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.1623143
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SXHLAPAHITZCGJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.96
Topological Polar Surface Area 21.26
Polarizability 26.48
Ring Count 2
Rotatable Bond Count 4

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