4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine

C14H24N4 — CID 79606608

IUPAC4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESC1CCC(c2n[nH]c(CC3CCNCC3)n2)CC1
InChIInChI=1S/C14H24N4/c1-2-4-12(5-3-1)14-16-13(17-18-14)10-11-6-8-15-9-7-11/h11-12,15H,1-10H2,(H,16,17,18)
InChIKeyLQHRGAFTOKQEPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds3

About 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine

4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine (PubChem CID 79606608) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
PubChem CID79606608
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESC1CCC(c2n[nH]c(CC3CCNCC3)n2)CC1
InChIInChI=1S/C14H24N4/c1-2-4-12(5-3-1)14-16-13(17-18-14)10-11-6-8-15-9-7-11/h11-12,15H,1-10H2,(H,16,17,18)
InChIKeyLQHRGAFTOKQEPC-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The IUPAC name of 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine (CID 79606608) is 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine is C1CCC(c2n[nH]c(CC3CCNCC3)n2)CC1.
What is the InChIKey of 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The InChIKey is LQHRGAFTOKQEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-4-12(5-3-1)14-16-13(17-18-14)10-11-6-8-15-9-7-11/h11-12,15H,1-10H2,(H,16,17,18).
What are the key properties of 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine is sourced from PubChem (CID 79606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).