(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H19F2NO2 — CID 107224664

IUPAC(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-3-9(4-6-12)11(17)15-7-1-2-10(16)8-15/h9-10,16H,1-8H2/t10-/m0/s1
InChIKeySOMBBGFWENIBCG-JTQLQIEISA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds1

About (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224664) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224664
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-3-9(4-6-12)11(17)15-7-1-2-10(16)8-15/h9-10,16H,1-8H2/t10-/m0/s1
InChIKeySOMBBGFWENIBCG-JTQLQIEISA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224664) is (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCC[C@H](O)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is SOMBBGFWENIBCG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-12(14)5-3-9(4-6-12)11(17)15-7-1-2-10(16)8-15/h9-10,16H,1-8H2/t10-/m0/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 247.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).