(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol

C17H18N4O — CID 162630814

IUPAC(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
SMILESO[C@@H]1CN(c2nnc3ccccn23)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N4O/c22-15-12-20(11-9-14(15)13-6-2-1-3-7-13)17-19-18-16-8-4-5-10-21(16)17/h1-8,10,14-15,22H,9,11-12H2/t14-,15-/m1/s1
InChIKeyFEIXQBDSANBMJY-HUUCEWRRSA-N
MW294.36 g/mol
LogP2.08
Rot. Bonds2

About (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol

(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol (PubChem CID 162630814) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
PubChem CID162630814
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
SMILESO[C@@H]1CN(c2nnc3ccccn23)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N4O/c22-15-12-20(11-9-14(15)13-6-2-1-3-7-13)17-19-18-16-8-4-5-10-21(16)17/h1-8,10,14-15,22H,9,11-12H2/t14-,15-/m1/s1
InChIKeyFEIXQBDSANBMJY-HUUCEWRRSA-N
XLogP2.08
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 126453864
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188426
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
CID 97153137
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 121283686
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 141366766

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The IUPAC name of (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol (CID 162630814) is (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol is O[C@@H]1CN(c2nnc3ccccn23)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The InChIKey is FEIXQBDSANBMJY-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18N4O/c22-15-12-20(11-9-14(15)13-6-2-1-3-7-13)17-19-18-16-8-4-5-10-21(16)17/h1-8,10,14-15,22H,9,11-12H2/t14-,15-/m1/s1.
What are the key properties of (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol has a molecular weight of 294.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol is sourced from PubChem (CID 162630814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).