1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine

C16H26N4 — CID 154754083

IUPAC1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1=CCCC(C)C1CN1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N4/c1-12-4-3-5-13(2)15(12)10-20-8-6-14(7-9-20)16-17-11-18-19-16/h4,11,13-15H,3,5-10H2,1-2H3,(H,17,18,19)
InChIKeyKJQZIAPZKJZGKZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds3

About 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine

1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 154754083) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID154754083
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1=CCCC(C)C1CN1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N4/c1-12-4-3-5-13(2)15(12)10-20-8-6-14(7-9-20)16-17-11-18-19-16/h4,11,13-15H,3,5-10H2,1-2H3,(H,17,18,19)
InChIKeyKJQZIAPZKJZGKZ-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 154754083) is 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine is CC1=CCCC(C)C1CN1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is KJQZIAPZKJZGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-4-3-5-13(2)15(12)10-20-8-6-14(7-9-20)16-17-11-18-19-16/h4,11,13-15H,3,5-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 154754083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).