3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine

C14H24N4 — CID 55164342

IUPAC3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine
SMILESCC1(c2nncn2C2CCCCC2)CCCNC1
InChIInChI=1S/C14H24N4/c1-14(8-5-9-15-10-14)13-17-16-11-18(13)12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3
InChIKeyKCSBNGSQUGQPMH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds2

About 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine

3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine (PubChem CID 55164342) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine.

Molecular Properties

Compound Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine
PubChem CID55164342
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine
SMILESCC1(c2nncn2C2CCCCC2)CCCNC1
InChIInChI=1S/C14H24N4/c1-14(8-5-9-15-10-14)13-17-16-11-18(13)12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3
InChIKeyKCSBNGSQUGQPMH-UHFFFAOYSA-N
XLogP2.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine?
The IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine (CID 55164342) is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine.
What is the SMILES notation for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine?
The canonical SMILES for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine is CC1(c2nncn2C2CCCCC2)CCCNC1.
What is the InChIKey of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine?
The InChIKey is KCSBNGSQUGQPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(8-5-9-15-10-14)13-17-16-11-18(13)12-6-3-2-4-7-12/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine?
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine is sourced from PubChem (CID 55164342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).