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

C19H31F2N3OS — CID 100642775

IUPAC4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1
InChIInChI=1S/C19H31F2N3OS/c1-3-23(4-2)13-17-22-16(14-26-17)18(25)9-11-24(12-10-18)15-5-7-19(20,21)8-6-15/h14-15,25H,3-13H2,1-2H3
InChIKeyJKAIJXMACUSDIJ-UHFFFAOYSA-N
MW387.54 g/mol
LogP3.85
Rot. Bonds6

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

4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol (PubChem CID 100642775) has the molecular formula C19H31F2N3OS and a molecular weight of 387.54 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol
PubChem CID100642775
Molecular FormulaC19H31F2N3OS
Molecular Weight387.54 g/mol
Exact Mass387.22
IUPAC Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1
InChIInChI=1S/C19H31F2N3OS/c1-3-23(4-2)13-17-22-16(14-26-17)18(25)9-11-24(12-10-18)15-5-7-19(20,21)8-6-15/h14-15,25H,3-13H2,1-2H3
InChIKeyJKAIJXMACUSDIJ-UHFFFAOYSA-N
XLogP3.85
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,4-difluorocyclohexyl)-4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100626012
1-[4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-4-hydroxypiperidin-1-yl]-2-methoxyethanone
CID 100643125
1-[4-[4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 100627013
1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100647658
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 162890731
4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 100643793
cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100627782
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
CID 162792981
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 45205988
4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 100643466
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
CID 82515623

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol?
The IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol (CID 100642775) is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol?
The canonical SMILES for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol is CCN(CC)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1.
What is the InChIKey of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol?
The InChIKey is JKAIJXMACUSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F2N3OS/c1-3-23(4-2)13-17-22-16(14-26-17)18(25)9-11-24(12-10-18)15-5-7-19(20,21)8-6-15/h14-15,25H,3-13H2,1-2H3.
What are the key properties of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol?
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol has a molecular weight of 387.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol is sourced from PubChem (CID 100642775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).