1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde

C12H19NO — CID 114620793

IUPAC1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C1C=CCCC1
InChIInChI=1S/C12H19NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h2,6,10-12H,1,3-5,7-9H2
InChIKeyUUVTYOJOSMLZOX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.15
Rot. Bonds2

About 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde

1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde (PubChem CID 114620793) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde
PubChem CID114620793
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C1C=CCCC1
InChIInChI=1S/C12H19NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h2,6,10-12H,1,3-5,7-9H2
InChIKeyUUVTYOJOSMLZOX-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde?
The IUPAC name of 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde (CID 114620793) is 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde is O=CC1CCCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde?
The InChIKey is UUVTYOJOSMLZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h2,6,10-12H,1,3-5,7-9H2.
What are the key properties of 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde?
1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde has a molecular weight of 193.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpiperidine-2-carbaldehyde is sourced from PubChem (CID 114620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).