1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol

C14H22F3N3OS — CID 86796012

IUPAC1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCN(CC)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H22F3N3OS/c1-3-20(4-2)12-18-9-11(22-12)10-19-7-5-13(21,6-8-19)14(15,16)17/h9,21H,3-8,10H2,1-2H3
InChIKeyOTAKVHUJPFNYFQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.88
Rot. Bonds5

About 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 86796012) has the molecular formula C14H22F3N3OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID86796012
Molecular FormulaC14H22F3N3OS
Molecular Weight337.41 g/mol
Exact Mass337.14
IUPAC Name1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCN(CC)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H22F3N3OS/c1-3-20(4-2)12-18-9-11(22-12)10-19-7-5-13(21,6-8-19)14(15,16)17/h9,21H,3-8,10H2,1-2H3
InChIKeyOTAKVHUJPFNYFQ-UHFFFAOYSA-N
XLogP2.88
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 86796012) is 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol is CCN(CC)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is OTAKVHUJPFNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3OS/c1-3-20(4-2)12-18-9-11(22-12)10-19-7-5-13(21,6-8-19)14(15,16)17/h9,21H,3-8,10H2,1-2H3.
What are the key properties of 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 337.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 86796012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).