1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine

C21H27N — CID 142981330

IUPAC1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine
SMILESC=C/C=C\C=C/CC(=C1CCN(CC)CC1)c1ccccc1
InChIInChI=1S/C21H27N/c1-3-5-6-7-11-14-21(19-12-9-8-10-13-19)20-15-17-22(4-2)18-16-20/h3,5-13H,1,4,14-18H2,2H3/b6-5-,11-7-
InChIKeyYRPLHNAQXIXRAV-FUVGTJSASA-N
MW293.45 g/mol
LogP5.24
Rot. Bonds6

About 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine

1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine (PubChem CID 142981330) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine
PubChem CID142981330
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine
SMILESC=C/C=C\C=C/CC(=C1CCN(CC)CC1)c1ccccc1
InChIInChI=1S/C21H27N/c1-3-5-6-7-11-14-21(19-12-9-8-10-13-19)20-15-17-22(4-2)18-16-20/h3,5-13H,1,4,14-18H2,2H3/b6-5-,11-7-
InChIKeyYRPLHNAQXIXRAV-FUVGTJSASA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine
CID 144956917
1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
CID 118476491
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
2-[(1-ethylpiperidin-4-ylidene)methyl]benzaldehyde
CID 89415184
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
CID 5312395
(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine?
The IUPAC name of 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine (CID 142981330) is 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine.
What is the SMILES notation for 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine?
The canonical SMILES for 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine is C=C/C=C\C=C/CC(=C1CCN(CC)CC1)c1ccccc1.
What is the InChIKey of 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine?
The InChIKey is YRPLHNAQXIXRAV-FUVGTJSASA-N. The full InChI is InChI=1S/C21H27N/c1-3-5-6-7-11-14-21(19-12-9-8-10-13-19)20-15-17-22(4-2)18-16-20/h3,5-13H,1,4,14-18H2,2H3/b6-5-,11-7-.
What are the key properties of 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine?
1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine has a molecular weight of 293.45 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine is sourced from PubChem (CID 142981330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).