1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde

C13H19NO — CID 143016459

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2=CCCC=C2)C1
InChIInChI=1S/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h2,5-6,11,13H,1,3-4,7-10H2
InChIKeyLWJMLEOCGXNMBZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde

1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde (PubChem CID 143016459) 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-3-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde
PubChem CID143016459
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2=CCCC=C2)C1
InChIInChI=1S/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h2,5-6,11,13H,1,3-4,7-10H2
InChIKeyLWJMLEOCGXNMBZ-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

2-(1-Piperidin-1-ylcyclohexa-2,4-dien-1-yl)acetaldehyde
CID 88276089
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
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
1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidine-4-carbaldehyde
CID 142851000
1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
CID 143526017
1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde
CID 143868126
1-(Cyclohepta-1,3,6-trien-1-ylmethyl)piperidine-4-carbaldehyde
CID 144350466
6-[2-(Dimethylamino)ethyl]-5-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 144472692
1-[4-(Aminomethyl)cyclohexa-2,4-dien-1-yl]piperidine-3-carbaldehyde
CID 145012005
1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine
CID 158965677

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde (CID 143016459) is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde is O=CC1CCCN(CC2=CCCC=C2)C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde?
The InChIKey is LWJMLEOCGXNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h2,5-6,11,13H,1,3-4,7-10H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde?
1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-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-3-carbaldehyde is sourced from PubChem (CID 143016459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).