4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine

C17H26N4 — CID 142910498

IUPAC4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
SMILESCCc1nc(CC2C=CC=CCC2)nn1C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-17-19-16(13-14-7-5-3-4-6-8-14)20-21(17)15-9-11-18-12-10-15/h3-5,7,14-15,18H,2,6,8-13H2,1H3
InChIKeyKEFNPMDIDQZCKL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds4

About 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine

4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine (PubChem CID 142910498) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
PubChem CID142910498
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
SMILESCCc1nc(CC2C=CC=CCC2)nn1C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-17-19-16(13-14-7-5-3-4-6-8-14)20-21(17)15-9-11-18-12-10-15/h3-5,7,14-15,18H,2,6,8-13H2,1H3
InChIKeyKEFNPMDIDQZCKL-UHFFFAOYSA-N
XLogP2.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine with MolForge

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Launch Full Analysis

Related Compounds

2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
CID 70433566
1-(4-Chloro-5,6-dimethylcyclohexa-2,4-dien-1-yl)-5-hexan-3-yl-3-methyl-1,2,4-triazole
CID 123762136
4-[2-[(6E)-7-chloro-6-methylocta-1,4,6-trien-3-yl]-5-methyl-1,2,4-triazol-3-yl]azepane
CID 144294670
4-[1-(2-Methyl-3-methylidenecyclopenten-1-yl)-1,2,4-triazol-3-yl]piperidine
CID 156036371
4-[3-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
CID 164006527
N-[4-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-1-yl)-2-[(Z)-prop-1-enyl]cyclopenten-1-yl]methanimine
CID 174256697
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
1-cyclohex-3-en-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65607839
1-cyclohex-3-en-1-yl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 65607840
1-cyclohex-3-en-1-yl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608035

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine?
The IUPAC name of 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine (CID 142910498) is 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine.
What is the SMILES notation for 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine?
The canonical SMILES for 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine is CCc1nc(CC2C=CC=CCC2)nn1C1CCNCC1.
What is the InChIKey of 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine?
The InChIKey is KEFNPMDIDQZCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-17-19-16(13-14-7-5-3-4-6-8-14)20-21(17)15-9-11-18-12-10-15/h3-5,7,14-15,18H,2,6,8-13H2,1H3.
What are the key properties of 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine?
4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine has a molecular weight of 286.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine is sourced from PubChem (CID 142910498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).