4-cyclohexylpiperidine-4-carbaldehyde

C12H21NO — CID 22185332

IUPAC4-cyclohexylpiperidine-4-carbaldehyde
SMILESO=CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h10-11,13H,1-9H2
InChIKeyUFIYBHPSPMBHOZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.14
Rot. Bonds2

About 4-cyclohexylpiperidine-4-carbaldehyde

4-cyclohexylpiperidine-4-carbaldehyde (PubChem CID 22185332) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-cyclohexylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexylpiperidine-4-carbaldehyde
PubChem CID22185332
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-cyclohexylpiperidine-4-carbaldehyde
SMILESO=CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h10-11,13H,1-9H2
InChIKeyUFIYBHPSPMBHOZ-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidin-4-ylbutanal
CID 11840929
2-(1-Oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde
CID 146163566
5-(4,4-Difluorocyclohexyl)piperidine-3-carbaldehyde
CID 165450038
4-Cyclohexylcarbonylpiperidine
CID 5246602
1-Piperidin-4-ylcyclohexane-1-carboxamide
CID 17934371
4-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 18318099
1-(4-Cyclohexylpiperidin-4-yl)propan-2-one
CID 21018604
1-(4-Cyclohexylpiperidin-4-yl)ethanone
CID 23388553
4-Cyclohexyl-1-methylpiperidine-4-carbaldehyde
CID 23388595
3-Piperidin-2-ylbutanal
CID 53802349
6-Piperidin-3-ylhexanal
CID 54431211
4-Cyclohexylpiperidine-4-carboxamide
CID 66697808

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpiperidine-4-carbaldehyde?
The IUPAC name of 4-cyclohexylpiperidine-4-carbaldehyde (CID 22185332) is 4-cyclohexylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-cyclohexylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-cyclohexylpiperidine-4-carbaldehyde is O=CC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-cyclohexylpiperidine-4-carbaldehyde?
The InChIKey is UFIYBHPSPMBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h10-11,13H,1-9H2.
What are the key properties of 4-cyclohexylpiperidine-4-carbaldehyde?
4-cyclohexylpiperidine-4-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpiperidine-4-carbaldehyde is sourced from PubChem (CID 22185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).