3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine

C16H28N4 — CID 83200320

IUPAC3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine
SMILESCC(C)(c1n[nH]c(C2CCCCC2)n1)C1CCCNC1
InChIInChI=1S/C16H28N4/c1-16(2,13-9-6-10-17-11-13)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13,17H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyGVQHRNZUSSKOBE-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.13
Rot. Bonds3

About 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine

3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine (PubChem CID 83200320) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine
PubChem CID83200320
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine
SMILESCC(C)(c1n[nH]c(C2CCCCC2)n1)C1CCCNC1
InChIInChI=1S/C16H28N4/c1-16(2,13-9-6-10-17-11-13)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13,17H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyGVQHRNZUSSKOBE-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trichloromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569188
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 115429046
5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole
CID 62678998
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
CID 61336979
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 165440577
3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
CID 84660806
5-cyclopropyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 61337129
(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
6-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793592
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The IUPAC name of 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine (CID 83200320) is 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The canonical SMILES for 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine is CC(C)(c1n[nH]c(C2CCCCC2)n1)C1CCCNC1.
What is the InChIKey of 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The InChIKey is GVQHRNZUSSKOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,13-9-6-10-17-11-13)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13,17H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine is sourced from PubChem (CID 83200320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).