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

C16H22F2N2OS — CID 110114340

IUPAC(4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C16H22F2N2OS/c1-15(14-19-8-11-22-14)6-9-20(10-7-15)13(21)12-2-4-16(17,18)5-3-12/h8,11-12H,2-7,9-10H2,1H3
InChIKeyIGFQMZRVNUZJMD-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.85
Rot. Bonds2

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

(4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114340) has the molecular formula C16H22F2N2OS and a molecular weight of 328.43 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114340
Molecular FormulaC16H22F2N2OS
Molecular Weight328.43 g/mol
Exact Mass328.14
IUPAC Name(4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C16H22F2N2OS/c1-15(14-19-8-11-22-14)6-9-20(10-7-15)13(21)12-2-4-16(17,18)5-3-12/h8,11-12H,2-7,9-10H2,1H3
InChIKeyIGFQMZRVNUZJMD-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.85
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-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114340) is (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC1(c2nccs2)CCN(C(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IGFQMZRVNUZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS/c1-15(14-19-8-11-22-14)6-9-20(10-7-15)13(21)12-2-4-16(17,18)5-3-12/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 328.43 g/mol, XLogP of 3.85, 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-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).