(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone

C15H25F2NO — CID 127985948

IUPAC(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H25F2NO/c1-11(2)13-4-3-9-18(10-13)14(19)12-5-7-15(16,17)8-6-12/h11-13H,3-10H2,1-2H3
InChIKeyRPCOWLOAJURJRO-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.71
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone

(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 127985948) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone
PubChem CID127985948
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H25F2NO/c1-11(2)13-4-3-9-18(10-13)14(19)12-5-7-15(16,17)8-6-12/h11-13H,3-10H2,1-2H3
InChIKeyRPCOWLOAJURJRO-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone (CID 127985948) is (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is RPCOWLOAJURJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-11(2)13-4-3-9-18(10-13)14(19)12-5-7-15(16,17)8-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
(4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 273.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 127985948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).