(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H24F2N2OS — CID 110114480

IUPAC(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2(C)CCN(C(=O)C3CCC(F)(F)CC3)CC2)s1
InChIInChI=1S/C17H24F2N2OS/c1-12-11-20-15(23-12)16(2)7-9-21(10-8-16)14(22)13-3-5-17(18,19)6-4-13/h11,13H,3-10H2,1-2H3
InChIKeyCTEYEYFKBSYJEI-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.16
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114480) has the molecular formula C17H24F2N2OS and a molecular weight of 342.46 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114480
Molecular FormulaC17H24F2N2OS
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2(C)CCN(C(=O)C3CCC(F)(F)CC3)CC2)s1
InChIInChI=1S/C17H24F2N2OS/c1-12-11-20-15(23-12)16(2)7-9-21(10-8-16)14(22)13-3-5-17(18,19)6-4-13/h11,13H,3-10H2,1-2H3
InChIKeyCTEYEYFKBSYJEI-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114480) is (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2(C)CCN(C(=O)C3CCC(F)(F)CC3)CC2)s1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CTEYEYFKBSYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2OS/c1-12-11-20-15(23-12)16(2)7-9-21(10-8-16)14(22)13-3-5-17(18,19)6-4-13/h11,13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).