1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol

C19H27FN4O — CID 126802786

IUPAC1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol
SMILESCC(C)(C)n1ncnc1CN1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN4O/c1-18(2,3)24-17(21-14-22-24)13-23-9-7-19(25,8-10-23)12-15-5-4-6-16(20)11-15/h4-6,11,14,25H,7-10,12-13H2,1-3H3
InChIKeyBDDUXNDRNRXOGG-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.74
Rot. Bonds4

About 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol

1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol (PubChem CID 126802786) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol
PubChem CID126802786
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol
SMILESCC(C)(C)n1ncnc1CN1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN4O/c1-18(2,3)24-17(21-14-22-24)13-23-9-7-19(25,8-10-23)12-15-5-4-6-16(20)11-15/h4-6,11,14,25H,7-10,12-13H2,1-3H3
InChIKeyBDDUXNDRNRXOGG-UHFFFAOYSA-N
XLogP2.74
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
CID 126791326
1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 114834111
(3R,5R)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447084
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342150
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249
ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxylate
CID 42193901
4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 166243082
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 160860615
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol (CID 126802786) is 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol is CC(C)(C)n1ncnc1CN1CCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol?
The InChIKey is BDDUXNDRNRXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-18(2,3)24-17(21-14-22-24)13-23-9-7-19(25,8-10-23)12-15-5-4-6-16(20)11-15/h4-6,11,14,25H,7-10,12-13H2,1-3H3.
What are the key properties of 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol?
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol has a molecular weight of 346.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 126802786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).