1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine

C17H22N4 — CID 91941498

IUPAC1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
SMILESCC(=Cc1ccccc1)CN1CCC(n2cncn2)CC1
InChIInChI=1S/C17H22N4/c1-15(11-16-5-3-2-4-6-16)12-20-9-7-17(8-10-20)21-14-18-13-19-21/h2-6,11,13-14,17H,7-10,12H2,1H3
InChIKeyHLGVIBIKGVHBAX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine

1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 91941498) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID91941498
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
SMILESCC(=Cc1ccccc1)CN1CCC(n2cncn2)CC1
InChIInChI=1S/C17H22N4/c1-15(11-16-5-3-2-4-6-16)12-20-9-7-17(8-10-20)21-14-18-13-19-21/h2-6,11,13-14,17H,7-10,12H2,1H3
InChIKeyHLGVIBIKGVHBAX-UHFFFAOYSA-N
XLogP3.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine (CID 91941498) is 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine is CC(=Cc1ccccc1)CN1CCC(n2cncn2)CC1.
What is the InChIKey of 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is HLGVIBIKGVHBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-15(11-16-5-3-2-4-6-16)12-20-9-7-17(8-10-20)21-14-18-13-19-21/h2-6,11,13-14,17H,7-10,12H2,1H3.
What are the key properties of 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine?
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 91941498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).