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

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

CAS: 946727-35-1

Formula: C14H21NO

SMILES: CC1=CC=CC(OCCC2CCCNC2)=C1

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

InChI: InChI=1/C14H21NO/c1-12-4-2-6-14(10-12)16-9-7-13-5-3-8-15-11-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3

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 YVSLKRNHMYUONI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.14
Topological Polar Surface Area 21.26
Polarizability 26.48
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 946727-35-1 $219.25$219.25
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