1-cyclohexylpiperidine-4-carbaldehyde

C12H21NO — CID 62654283

IUPAC1-cyclohexylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H21NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h10-12H,1-9H2
InChIKeySKNCZSLUMPPXOL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 1-cyclohexylpiperidine-4-carbaldehyde

1-cyclohexylpiperidine-4-carbaldehyde (PubChem CID 62654283) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cyclohexylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexylpiperidine-4-carbaldehyde
PubChem CID62654283
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cyclohexylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H21NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h10-12H,1-9H2
InChIKeySKNCZSLUMPPXOL-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperidine-4-carbaldehyde?
The IUPAC name of 1-cyclohexylpiperidine-4-carbaldehyde (CID 62654283) is 1-cyclohexylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-cyclohexylpiperidine-4-carbaldehyde is O=CC1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexylpiperidine-4-carbaldehyde?
The InChIKey is SKNCZSLUMPPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h10-12H,1-9H2.
What are the key properties of 1-cyclohexylpiperidine-4-carbaldehyde?
1-cyclohexylpiperidine-4-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperidine-4-carbaldehyde is sourced from PubChem (CID 62654283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).