3-[(3-methoxyphenyl)methyl]piperidine

C13H19NO — CID 17039514

IUPAC3-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2CCCNC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3
InChIKeyGQKSLDMVANTJRX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]piperidine

3-[(3-methoxyphenyl)methyl]piperidine (PubChem CID 17039514) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]piperidine
PubChem CID17039514
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2CCCNC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3
InChIKeyGQKSLDMVANTJRX-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]piperidine (CID 17039514) is 3-[(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]piperidine is COc1cccc(CC2CCCNC2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]piperidine?
The InChIKey is GQKSLDMVANTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]piperidine?
3-[(3-methoxyphenyl)methyl]piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 17039514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).