3-[(2-methoxyphenyl)methyl]piperidine

C13H19NO — CID 5005916

IUPAC3-[(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1CC1CCCNC1
InChIInChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyQUMLOVQFWVLNPX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds3

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

3-[(2-methoxyphenyl)methyl]piperidine (PubChem CID 5005916) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]piperidine
PubChem CID5005916
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1CC1CCCNC1
InChIInChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyQUMLOVQFWVLNPX-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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Related Compounds

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CID 117316206
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
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N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
CID 56900934
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]piperidine (CID 5005916) is 3-[(2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]piperidine is COc1ccccc1CC1CCCNC1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]piperidine?
The InChIKey is QUMLOVQFWVLNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]piperidine?
3-[(2-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-[(2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 5005916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).