[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone

C16H20N4O2 — CID 110888051

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCCCC1CCO
InChIInChI=1S/C16H20N4O2/c21-11-9-13-6-4-5-10-19(13)16(22)15-12-20(18-17-15)14-7-2-1-3-8-14/h1-3,7-8,12-13,21H,4-6,9-11H2
InChIKeyUIPVWZKRUPUHRC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone (PubChem CID 110888051) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
PubChem CID110888051
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCCCC1CCO
InChIInChI=1S/C16H20N4O2/c21-11-9-13-6-4-5-10-19(13)16(22)15-12-20(18-17-15)14-7-2-1-3-8-14/h1-3,7-8,12-13,21H,4-6,9-11H2
InChIKeyUIPVWZKRUPUHRC-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
[(2R)-2-(aminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124698560
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513
(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261
[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95725001
(3S)-1-(1-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113549
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578129
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
CID 102684340
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone (CID 110888051) is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nn1)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The InChIKey is UIPVWZKRUPUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-11-9-13-6-4-5-10-19(13)16(22)15-12-20(18-17-15)14-7-2-1-3-8-14/h1-3,7-8,12-13,21H,4-6,9-11H2.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 110888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).