(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol

C16H22N4O — CID 95333284

IUPAC(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C16H22N4O/c21-16(15-6-2-1-3-7-15)11-19-8-4-5-14(9-19)10-20-13-17-12-18-20/h1-3,6-7,12-14,16,21H,4-5,8-11H2/t14-,16-/m0/s1
InChIKeyUVVVALLOXOWUIW-HOCLYGCPSA-N
MW286.38 g/mol
LogP1.72
Rot. Bonds5

About (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol

(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 95333284) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
PubChem CID95333284
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C16H22N4O/c21-16(15-6-2-1-3-7-15)11-19-8-4-5-14(9-19)10-20-13-17-12-18-20/h1-3,6-7,12-14,16,21H,4-5,8-11H2/t14-,16-/m0/s1
InChIKeyUVVVALLOXOWUIW-HOCLYGCPSA-N
XLogP1.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol with MolForge

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95316402
N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95337910
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
(2R)-1-(4-fluorophenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 100841295
(2S)-1-(4-fluorophenoxy)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95333116
(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 100843480
4-[(2R)-2-hydroxy-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propoxy]benzonitrile
CID 95333887
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309762

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol (CID 95333284) is (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol is O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is UVVVALLOXOWUIW-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(15-6-2-1-3-7-15)11-19-8-4-5-14(9-19)10-20-13-17-12-18-20/h1-3,6-7,12-14,16,21H,4-5,8-11H2/t14-,16-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 95333284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).