2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C18H26N4 — CID 176706095

IUPAC2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC=C/C=C(\C=C)CN1CCC(c2nncn2C)CC1C1CC1
InChIInChI=1S/C18H26N4/c1-4-6-14(5-2)12-22-10-9-16(11-17(22)15-7-8-15)18-20-19-13-21(18)3/h4-6,13,15-17H,1-2,7-12H2,3H3/b14-6+
InChIKeyMWDCXLOQDUOTES-MKMNVTDBSA-N
MW298.43 g/mol
LogP3.07
Rot. Bonds6

About 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 176706095) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID176706095
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC=C/C=C(\C=C)CN1CCC(c2nncn2C)CC1C1CC1
InChIInChI=1S/C18H26N4/c1-4-6-14(5-2)12-22-10-9-16(11-17(22)15-7-8-15)18-20-19-13-21(18)3/h4-6,13,15-17H,1-2,7-12H2,3H3/b14-6+
InChIKeyMWDCXLOQDUOTES-MKMNVTDBSA-N
XLogP3.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176706085
(4R)-2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176706087
1-{[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 70779302
1-[(2,6-Dimethylcyclohex-2-en-1-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 91662171
1-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 99858004
1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 99858005
1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 99858006
1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 99858007

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 176706095) is 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is C=C/C=C(\C=C)CN1CCC(c2nncn2C)CC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is MWDCXLOQDUOTES-MKMNVTDBSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-6-14(5-2)12-22-10-9-16(11-17(22)15-7-8-15)18-20-19-13-21(18)3/h4-6,13,15-17H,1-2,7-12H2,3H3/b14-6+.
What are the key properties of 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 298.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 176706095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).