1-[(2-fluorophenyl)methyl]-3-methoxypiperidine

C13H18FNO — CID 136523280

IUPAC1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c1-16-12-6-4-8-15(10-12)9-11-5-2-3-7-13(11)14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyCHNLNSOFCNZHQQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine

1-[(2-fluorophenyl)methyl]-3-methoxypiperidine (PubChem CID 136523280) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
PubChem CID136523280
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c1-16-12-6-4-8-15(10-12)9-11-5-2-3-7-13(11)14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyCHNLNSOFCNZHQQ-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-[(3-methoxypiperidin-1-yl)methyl]benzonitrile
CID 103912132
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
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(3S)-1-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine
CID 97140770
2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
(E)-3-[3-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 102964669
4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
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1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine (CID 136523280) is 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine is COC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine?
The InChIKey is CHNLNSOFCNZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-12-6-4-8-15(10-12)9-11-5-2-3-7-13(11)14/h2-3,5,7,12H,4,6,8-10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine?
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methoxypiperidine is sourced from PubChem (CID 136523280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).