[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C14H14F3N5O2 — CID 126798262

IUPAC[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2nn[nH]n2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-3-1-9(2-4-10)11(23)22-7-5-13(24,6-8-22)12-18-20-21-19-12/h1-4,24H,5-8H2,(H,18,19,20,21)
InChIKeyGQTVYLIUROLKTP-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.34
Rot. Bonds2

About [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 126798262) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID126798262
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2nn[nH]n2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-3-1-9(2-4-10)11(23)22-7-5-13(24,6-8-22)12-18-20-21-19-12/h1-4,24H,5-8H2,(H,18,19,20,21)
InChIKeyGQTVYLIUROLKTP-UHFFFAOYSA-N
XLogP1.34
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 37092246
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154863997
[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533541

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 126798262) is [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2nn[nH]n2)CC1.
What is the InChIKey of [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GQTVYLIUROLKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)10-3-1-9(2-4-10)11(23)22-7-5-13(24,6-8-22)12-18-20-21-19-12/h1-4,24H,5-8H2,(H,18,19,20,21).
What are the key properties of [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 341.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 126798262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).