(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone

C23H26N4O2 — CID 134131835

IUPAC(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone
SMILESCC(O)(c1ccccc1)c1cnn(C(=O)N2CCCCC2Cc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3
InChIKeyARWPUXNOXVMUTI-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.60
Rot. Bonds4

About (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone

(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone (PubChem CID 134131835) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone.

Molecular Properties

Compound Name(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone
PubChem CID134131835
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone
SMILESCC(O)(c1ccccc1)c1cnn(C(=O)N2CCCCC2Cc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3
InChIKeyARWPUXNOXVMUTI-UHFFFAOYSA-N
XLogP3.60
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone with MolForge

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
methyl 2-benzylazepane-1-carboxylate
CID 102314657
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 79211356
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708

Frequently Asked Questions

What is the IUPAC name of (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone?
The IUPAC name of (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone (CID 134131835) is (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone.
What is the SMILES notation for (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone?
The canonical SMILES for (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone is CC(O)(c1ccccc1)c1cnn(C(=O)N2CCCCC2Cc2ccccc2)n1.
What is the InChIKey of (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone?
The InChIKey is ARWPUXNOXVMUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3.
What are the key properties of (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone?
(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone is sourced from PubChem (CID 134131835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).