(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine

C14H24N4 — CID 104915219

IUPAC(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc([C@@H]2CCCCN2)n1C1CCCCC1
InChIInChI=1S/C14H24N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h12-13,15H,2-10H2,1H3/t13-/m0/s1
InChIKeyUARPUMYBPBBFDC-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds2

About (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine

(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 104915219) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID104915219
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc([C@@H]2CCCCN2)n1C1CCCCC1
InChIInChI=1S/C14H24N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h12-13,15H,2-10H2,1H3/t13-/m0/s1
InChIKeyUARPUMYBPBBFDC-ZDUSSCGKSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)azepane
CID 64561912
(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915216
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107
(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 104899326
4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 61370950
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 102783728
3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 114239815
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 61363348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine (CID 104915219) is (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine is Cc1nnc([C@@H]2CCCCN2)n1C1CCCCC1.
What is the InChIKey of (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UARPUMYBPBBFDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h12-13,15H,2-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 104915219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).