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

C14H21NO — CID 56881269

IUPAC3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cccc(CCC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3
InChIKeyAHNMQUYOKZLPFY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds4

About 3-[2-(3-methoxyphenyl)ethyl]piperidine

3-[2-(3-methoxyphenyl)ethyl]piperidine (PubChem CID 56881269) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl]piperidine
PubChem CID56881269
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cccc(CCC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3
InChIKeyAHNMQUYOKZLPFY-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]piperidine (CID 56881269) is 3-[2-(3-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl]piperidine is COc1cccc(CCC2CCCNC2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl]piperidine?
The InChIKey is AHNMQUYOKZLPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl]piperidine?
3-[2-(3-methoxyphenyl)ethyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 56881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).