1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C15H24N4 — CID 131947795

IUPAC1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(CC3=CCCCC3)C2)n[nH]1
InChIInChI=1S/C15H24N4/c1-12-16-15(18-17-12)14-8-5-9-19(11-14)10-13-6-3-2-4-7-13/h6,14H,2-5,7-11H2,1H3,(H,16,17,18)
InChIKeyMMYSWWHKCOLTDD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.79
Rot. Bonds3

About 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 131947795) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID131947795
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(CC3=CCCCC3)C2)n[nH]1
InChIInChI=1S/C15H24N4/c1-12-16-15(18-17-12)14-8-5-9-19(11-14)10-13-6-3-2-4-7-13/h6,14H,2-5,7-11H2,1H3,(H,16,17,18)
InChIKeyMMYSWWHKCOLTDD-UHFFFAOYSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.79
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

4-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 70924574
4-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 123796357
(3R)-1-[(2,6-difluoro-1-methylcyclohexa-2,4-dien-1-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 144372530
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166030745
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166085082
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 10921081
5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 11106204
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
CID 79211060
N-(cyclohex-3-en-1-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 103991471
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 113797436
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113797437

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 131947795) is 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCCN(CC3=CCCCC3)C2)n[nH]1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is MMYSWWHKCOLTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-16-15(18-17-12)14-8-5-9-19(11-14)10-13-6-3-2-4-7-13/h6,14H,2-5,7-11H2,1H3,(H,16,17,18).
What are the key properties of 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 260.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 131947795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).