1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone

C15H19F2NO — CID 116789445

IUPAC1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H19F2NO/c1-12(19)13-7-9-18(10-8-13)11-15(16,17)14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3
InChIKeyDWQAZHHRRMBIIF-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone

1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone (PubChem CID 116789445) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
PubChem CID116789445
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H19F2NO/c1-12(19)13-7-9-18(10-8-13)11-15(16,17)14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3
InChIKeyDWQAZHHRRMBIIF-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
3-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]propanoic acid
CID 116789913
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
CID 114682382
1-(2,2-difluoro-2-phenylethyl)-4-methylpiperidine-4-carbothioamide
CID 107161472
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790576
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone (CID 116789445) is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(CC(F)(F)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone?
The InChIKey is DWQAZHHRRMBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-12(19)13-7-9-18(10-8-13)11-15(16,17)14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3.
What are the key properties of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone?
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 116789445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).