4-cyclohexyl-1-methylpiperidine-4-carbaldehyde

C13H23NO — CID 23388595

IUPAC4-cyclohexyl-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C2CCCCC2)CC1
InChIInChI=1S/C13H23NO/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyKWHDFCSPYAKZJP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds2

About 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde

4-cyclohexyl-1-methylpiperidine-4-carbaldehyde (PubChem CID 23388595) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-1-methylpiperidine-4-carbaldehyde
PubChem CID23388595
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-cyclohexyl-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C2CCCCC2)CC1
InChIInChI=1S/C13H23NO/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyKWHDFCSPYAKZJP-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
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

1-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65530270
1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65532212
4-Methyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65907820
4-Methyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65907821
3-Methyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65922739
3-Methyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65922740
1,3,5-Trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
CID 18670489
4-Cyclohexyl-4-formylpiperidine-1-carboxylic acid
CID 22185326
4-Cyclohexylpiperidine-4-carbaldehyde
CID 22185332
1-(4-Cyclohexyl-1-methylpiperidin-4-yl)ethanone
CID 23388550
3,6,8-Trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
CID 23564133
2-(1-Propylpiperidin-3-yl)propanal
CID 53812110

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde?
The IUPAC name of 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde (CID 23388595) is 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde?
The InChIKey is KWHDFCSPYAKZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde?
4-cyclohexyl-1-methylpiperidine-4-carbaldehyde has a molecular weight of 209.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 23388595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).