4,4-difluoro-1-(3-methoxyphenyl)piperidine

C12H15F2NO — CID 117007784

IUPAC4,4-difluoro-1-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15F2NO/c1-16-11-4-2-3-10(9-11)15-7-5-12(13,14)6-8-15/h2-4,9H,5-8H2,1H3
InChIKeyQHSDLHJPIHFFCF-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.93
Rot. Bonds2

About 4,4-difluoro-1-(3-methoxyphenyl)piperidine

4,4-difluoro-1-(3-methoxyphenyl)piperidine (PubChem CID 117007784) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methoxyphenyl)piperidine
PubChem CID117007784
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4,4-difluoro-1-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15F2NO/c1-16-11-4-2-3-10(9-11)15-7-5-12(13,14)6-8-15/h2-4,9H,5-8H2,1H3
InChIKeyQHSDLHJPIHFFCF-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-iodo-4-(3-methoxyphenyl)piperazine
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bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
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8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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4-(3-methoxyphenyl)piperazine-1-carbaldehyde
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(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
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3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
4-(3-methoxyphenyl)piperazine-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methoxyphenyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-methoxyphenyl)piperidine (CID 117007784) is 4,4-difluoro-1-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-methoxyphenyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-methoxyphenyl)piperidine is COc1cccc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of 4,4-difluoro-1-(3-methoxyphenyl)piperidine?
The InChIKey is QHSDLHJPIHFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-11-4-2-3-10(9-11)15-7-5-12(13,14)6-8-15/h2-4,9H,5-8H2,1H3.
What are the key properties of 4,4-difluoro-1-(3-methoxyphenyl)piperidine?
4,4-difluoro-1-(3-methoxyphenyl)piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 117007784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).