4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine

C16H22F2N2 — CID 141117793

IUPAC4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine
SMILESFC1(F)CCN(C2CCCCN2c2ccccc2)CC1
InChIInChI=1S/C16H22F2N2/c17-16(18)9-12-19(13-10-16)15-8-4-5-11-20(15)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyIDXBSHYEWDAALC-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.73
Rot. Bonds2

About 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine

4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine (PubChem CID 141117793) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine
PubChem CID141117793
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine
SMILESFC1(F)CCN(C2CCCCN2c2ccccc2)CC1
InChIInChI=1S/C16H22F2N2/c17-16(18)9-12-19(13-10-16)15-8-4-5-11-20(15)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyIDXBSHYEWDAALC-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68698578
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
1-phenyl-2-(trifluoromethyl)piperidine
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2-cyclohexyl-1-phenylpiperidine
CID 11736671
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
CID 23298903
4-(1-phenylpiperidin-2-yl)butan-1-amine
CID 70110239
1-[(4aR,9aR)-1-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-2,2,2-trifluoroethanone
CID 178143484

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine (CID 141117793) is 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine is FC1(F)CCN(C2CCCCN2c2ccccc2)CC1.
What is the InChIKey of 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine?
The InChIKey is IDXBSHYEWDAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-16(18)9-12-19(13-10-16)15-8-4-5-11-20(15)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine?
4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine has a molecular weight of 280.36 g/mol, XLogP of 3.73, 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-(1-phenylpiperidin-2-yl)piperidine is sourced from PubChem (CID 141117793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).