1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine

C16H25N — CID 122643082

IUPAC1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
SMILESC=C/C=C/N1CCC(CC(/C=C\C)=C/C)CC1
InChIInChI=1S/C16H25N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h4-8,11,16H,1,9-10,12-14H2,2-3H3/b8-5-,11-7+,15-6+
InChIKeyXHCQJZTVLIQXAR-HNRNRMBASA-N
MW231.38 g/mol
LogP4.31
Rot. Bonds5

About 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine

1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine (PubChem CID 122643082) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
PubChem CID122643082
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
SMILESC=C/C=C/N1CCC(CC(/C=C\C)=C/C)CC1
InChIInChI=1S/C16H25N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h4-8,11,16H,1,9-10,12-14H2,2-3H3/b8-5-,11-7+,15-6+
InChIKeyXHCQJZTVLIQXAR-HNRNRMBASA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
CID 134365665
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-1-methylpiperidine
CID 134365673
4-[(2Z,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 134365676
4-[(3Z)-5-fluoroocta-1,3-dien-2-yl]-1-methylpiperidine
CID 134365702
4-[(3Z,5Z)-7-fluoroocta-3,5,7-trien-4-yl]-1-methylpiperidine
CID 134365789

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine (CID 122643082) is 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine is C=C/C=C/N1CCC(CC(/C=C\C)=C/C)CC1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The InChIKey is XHCQJZTVLIQXAR-HNRNRMBASA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h4-8,11,16H,1,9-10,12-14H2,2-3H3/b8-5-,11-7+,15-6+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine is sourced from PubChem (CID 122643082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).