1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine

C17H32N4 — CID 46991942

IUPAC1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine
SMILESCCCc1cn(C2CCN(C(C)CCC(C)C)CC2)nn1
InChIInChI=1S/C17H32N4/c1-5-6-16-13-21(19-18-16)17-9-11-20(12-10-17)15(4)8-7-14(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyFOVUWYXGJPXPJM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.69
Rot. Bonds7

About 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine

1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine (PubChem CID 46991942) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine
PubChem CID46991942
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine
SMILESCCCc1cn(C2CCN(C(C)CCC(C)C)CC2)nn1
InChIInChI=1S/C17H32N4/c1-5-6-16-13-21(19-18-16)17-9-11-20(12-10-17)15(4)8-7-14(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyFOVUWYXGJPXPJM-UHFFFAOYSA-N
XLogP3.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 46994542
N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
CID 75259177
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
CID 171743056
1-[1-(5-methylhexan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316563
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 46993018
N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46995833
1-(3-methylbutyl)-4-propyltriazole
CID 68679793
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
ethane;1-methyl-4-propyltriazole
CID 168923376
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine?
The IUPAC name of 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine (CID 46991942) is 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine?
The canonical SMILES for 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine is CCCc1cn(C2CCN(C(C)CCC(C)C)CC2)nn1.
What is the InChIKey of 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine?
The InChIKey is FOVUWYXGJPXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-6-16-13-21(19-18-16)17-9-11-20(12-10-17)15(4)8-7-14(2)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine?
1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine has a molecular weight of 292.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine is sourced from PubChem (CID 46991942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).