1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde

C14H23NO — CID 143526017

IUPAC1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
SMILESCC/C=C\C=C(/C)CN1CCC(C=O)CC1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,12,14H,3,7-11H2,1-2H3/b5-4-,13-6+
InChIKeyDQPKSIWOUBZIRJ-VRPUZZSBSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds5

About 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde

1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde (PubChem CID 143526017) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
PubChem CID143526017
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
SMILESCC/C=C\C=C(/C)CN1CCC(C=O)CC1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,12,14H,3,7-11H2,1-2H3/b5-4-,13-6+
InChIKeyDQPKSIWOUBZIRJ-VRPUZZSBSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidine-4-carbaldehyde
CID 86584405
1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dienyl]piperidine-4-carbaldehyde
CID 141978676
4-(Piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde
CID 22611139
1-But-3-en-2-ylpiperidine-4-carbaldehyde
CID 62654641
(3E,4S)-3-ethylidene-1-methylpiperidine-4-carbaldehyde
CID 88562404
3-[(1-Methylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carbaldehyde
CID 132198559
3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal
CID 142202510
1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone
CID 142842574
2-[[Cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]methyl]butanal
CID 142850897
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde
CID 142850909
ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde
CID 142850990
1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde
CID 142851000

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde (CID 143526017) is 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde is CC/C=C\C=C(/C)CN1CCC(C=O)CC1.
What is the InChIKey of 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde?
The InChIKey is DQPKSIWOUBZIRJ-VRPUZZSBSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,12,14H,3,7-11H2,1-2H3/b5-4-,13-6+.
What are the key properties of 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde?
1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde has a molecular weight of 221.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 143526017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).