1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde

C13H19NO — CID 142850749

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1=CCCC=C1
InChIInChI=1S/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h2,6-7,11,13H,1,3-5,8-10H2
InChIKeyXDMQTEXFNSLJFY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde

1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde (PubChem CID 142850749) 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-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde
PubChem CID142850749
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1=CCCC=C1
InChIInChI=1S/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h2,6-7,11,13H,1,3-5,8-10H2
InChIKeyXDMQTEXFNSLJFY-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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-(2-Methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde
CID 123665113
1-[4-(Cyclohexa-1,3-dien-1-ylmethyl)piperazin-1-yl]cyclopropane-1-carbaldehyde
CID 139471534
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrrolidine-2-carbaldehyde
CID 142850896
(2S,3S)-3-methyl-2-[methyl-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]amino]pentanal
CID 163936481
3-Cyclohexa-1,5-dien-1-yl-2-[methyl(propyl)amino]propanal
CID 173184268
1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine-2-carbaldehyde
CID 174391959
1-Piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde
CID 174841682
1-(4-Methylpent-3-enyl)piperidine-2-carbaldehyde
CID 21598219
1-Pent-4-enylpiperidine-2-carbaldehyde
CID 64297487
1-Hept-6-enylpiperidine-2-carbaldehyde
CID 107010171
1-Cyclohex-2-en-1-ylpiperidine-2-carbaldehyde
CID 114620793
3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propanal
CID 117205683

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde (CID 142850749) is 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CC1=CCCC=C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde?
The InChIKey is XDMQTEXFNSLJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h2,6-7,11,13H,1,3-5,8-10H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde?
1-(cyclohexa-1,5-dien-1-ylmethyl)piperidine-2-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.32, 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-2-carbaldehyde is sourced from PubChem (CID 142850749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).