(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H21F2NO2 — CID 103900819

IUPAC(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(F)(F)CC2)CC1O
InChIInChI=1S/C13H21F2NO2/c1-9-4-7-16(8-11(9)17)12(18)10-2-5-13(14,15)6-3-10/h9-11,17H,2-8H2,1H3
InChIKeyLFJZLZRJZSYGMK-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.04
Rot. Bonds1

About (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900819) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900819
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(F)(F)CC2)CC1O
InChIInChI=1S/C13H21F2NO2/c1-9-4-7-16(8-11(9)17)12(18)10-2-5-13(14,15)6-3-10/h9-11,17H,2-8H2,1H3
InChIKeyLFJZLZRJZSYGMK-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900819) is (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCC(F)(F)CC2)CC1O.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is LFJZLZRJZSYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-9-4-7-16(8-11(9)17)12(18)10-2-5-13(14,15)6-3-10/h9-11,17H,2-8H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 261.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).