2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one

C20H27F2NO — CID 134849891

IUPAC2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H27F2NO/c21-20(22,19(24)23-13-5-2-6-14-23)15-16-9-11-18(12-10-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2
InChIKeyNWJCUKZTOHFLLM-UHFFFAOYSA-N
MW335.44 g/mol
LogP5.00
Rot. Bonds4

About 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one

2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 134849891) has the molecular formula C20H27F2NO and a molecular weight of 335.44 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one
PubChem CID134849891
Molecular FormulaC20H27F2NO
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H27F2NO/c21-20(22,19(24)23-13-5-2-6-14-23)15-16-9-11-18(12-10-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2
InChIKeyNWJCUKZTOHFLLM-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one (CID 134849891) is 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one is O=C(N1CCCCC1)C(F)(F)CC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is NWJCUKZTOHFLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO/c21-20(22,19(24)23-13-5-2-6-14-23)15-16-9-11-18(12-10-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2.
What are the key properties of 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one?
2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 335.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-phenylcyclohexyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 134849891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).