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

C14H21F3N2OS — CID 75500661

IUPAC1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H21F3N2OS/c1-12(2,3)11-18-8-10(21-11)9-19-6-4-13(20,5-7-19)14(15,16)17/h8,20H,4-7,9H2,1-3H3
InChIKeyBBWBEKQWEZYBOH-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.33
Rot. Bonds2

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

1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75500661) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75500661
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H21F3N2OS/c1-12(2,3)11-18-8-10(21-11)9-19-6-4-13(20,5-7-19)14(15,16)17/h8,20H,4-7,9H2,1-3H3
InChIKeyBBWBEKQWEZYBOH-UHFFFAOYSA-N
XLogP3.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75500661) is 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CC(C)(C)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is BBWBEKQWEZYBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-12(2,3)11-18-8-10(21-11)9-19-6-4-13(20,5-7-19)14(15,16)17/h8,20H,4-7,9H2,1-3H3.
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 322.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75500661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).