1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol

C17H23ClN4O — CID 111105326

IUPAC1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
SMILESCCn1cnnc1C1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN4O/c1-2-22-12-19-20-17(22)13-7-9-21(10-8-13)11-16(23)14-5-3-4-6-15(14)18/h3-6,12-13,16,23H,2,7-11H2,1H3
InChIKeyGWJLMFUVNPGWBD-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol

1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol (PubChem CID 111105326) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
PubChem CID111105326
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
SMILESCCn1cnnc1C1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN4O/c1-2-22-12-19-20-17(22)13-7-9-21(10-8-13)11-16(23)14-5-3-4-6-15(14)18/h3-6,12-13,16,23H,2,7-11H2,1H3
InChIKeyGWJLMFUVNPGWBD-UHFFFAOYSA-N
XLogP2.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105329
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CID 111105319
(1S)-2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(2-fluorophenyl)ethanol
CID 129331030
2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 136515167
1-(2-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302505
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CID 111512129
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
3-(4-ethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552373
(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
CID 97069134
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol (CID 111105326) is 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol is CCn1cnnc1C1CCN(CC(O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is GWJLMFUVNPGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-2-22-12-19-20-17(22)13-7-9-21(10-8-13)11-16(23)14-5-3-4-6-15(14)18/h3-6,12-13,16,23H,2,7-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111105326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).