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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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).