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

C14H24N4 — CID 151276063

IUPAC4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCN1CCC(c2ncn[nH]2)(C2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-18-9-7-14(8-10-18,13-15-11-16-17-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyNXJGNSCGMNJUOM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds2

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

4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 151276063) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID151276063
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCN1CCC(c2ncn[nH]2)(C2CCCCC2)CC1
InChIInChI=1S/C14H24N4/c1-18-9-7-14(8-10-18,13-15-11-16-17-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyNXJGNSCGMNJUOM-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 151276063) is 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is CN1CCC(c2ncn[nH]2)(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is NXJGNSCGMNJUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-18-9-7-14(8-10-18,13-15-11-16-17-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,16,17).
What are the key properties of 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?
4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 151276063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).