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

C15H20F2N2OS — CID 110106766

IUPAC(4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C15H20F2N2OS/c16-15(17)5-3-11(4-6-15)14(20)19-8-1-2-12(10-19)13-18-7-9-21-13/h7,9,11-12H,1-6,8,10H2
InChIKeyCRQQSAQPEMJYTF-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.67
Rot. Bonds2

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

(4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110106766) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110106766
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name(4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C15H20F2N2OS/c16-15(17)5-3-11(4-6-15)14(20)19-8-1-2-12(10-19)13-18-7-9-21-13/h7,9,11-12H,1-6,8,10H2
InChIKeyCRQQSAQPEMJYTF-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110106766) is (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CRQQSAQPEMJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c16-15(17)5-3-11(4-6-15)14(20)19-8-1-2-12(10-19)13-18-7-9-21-13/h7,9,11-12H,1-6,8,10H2.
What are the key properties of (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 314.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110106766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).