3-methoxy-1-phenylpiperidine

C12H17NO — CID 70382121

IUPAC3-methoxy-1-phenylpiperidine
SMILESCOC1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyQZINPJBNDWBXRL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds2

About 3-methoxy-1-phenylpiperidine

3-methoxy-1-phenylpiperidine (PubChem CID 70382121) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methoxy-1-phenylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-phenylpiperidine
PubChem CID70382121
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methoxy-1-phenylpiperidine
SMILESCOC1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyQZINPJBNDWBXRL-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenylpiperidine?
The IUPAC name of 3-methoxy-1-phenylpiperidine (CID 70382121) is 3-methoxy-1-phenylpiperidine.
What is the SMILES notation for 3-methoxy-1-phenylpiperidine?
The canonical SMILES for 3-methoxy-1-phenylpiperidine is COC1CCCN(c2ccccc2)C1.
What is the InChIKey of 3-methoxy-1-phenylpiperidine?
The InChIKey is QZINPJBNDWBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of 3-methoxy-1-phenylpiperidine?
3-methoxy-1-phenylpiperidine has a molecular weight of 191.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylpiperidine is sourced from PubChem (CID 70382121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).