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

C14H24N4 — CID 95730649

IUPAC1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-17-11-15-16-14(17)12-7-9-18(10-8-12)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3
InChIKeyWARATVKFJXBVFQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds2

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

1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 95730649) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID95730649
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-17-11-15-16-14(17)12-7-9-18(10-8-12)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3
InChIKeyWARATVKFJXBVFQ-UHFFFAOYSA-N
XLogP2.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
CID 130905531
3-(4-tert-butylcyclohexyl)-4-methyl-1,2,4-triazole
CID 115395347
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280
1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
CID 75472388
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-ylsulfonylpiperidine
CID 94159166
4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
CID 99932002
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 95730649) is 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is WARATVKFJXBVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-11-15-16-14(17)12-7-9-18(10-8-12)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 95730649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).