1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde

C13H19NO — CID 142851000

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,11,13H,1,3,6-10H2
InChIKeyROJGNRHQADEGIG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde

1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 142851000) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde
PubChem CID142851000
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,11,13H,1,3,6-10H2
InChIKeyROJGNRHQADEGIG-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
2-(1-Piperidin-1-ylcyclohexa-2,4-dien-1-yl)acetaldehyde
CID 88276089
(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-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone
CID 142874259
1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde
CID 143016459
1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
CID 143526017

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde (CID 142851000) is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is ROJGNRHQADEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,11,13H,1,3,6-10H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde?
1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 142851000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).