1-Piperidinecarboxaldehyde, 3,4-dimethyl-

C8H15NO — CID 21702842

IUPAC3,4-dimethylpiperidine-1-carbaldehyde
SMILESCC1CCN(CC1C)C=O
InChIInChI=1S/C8H15NO/c1-7-3-4-9(6-10)5-8(7)2/h6-8H,3-5H2,1-2H3
InChIKeyRGVAWGDYFIXCPU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds

About 1-Piperidinecarboxaldehyde, 3,4-dimethyl-

1-Piperidinecarboxaldehyde, 3,4-dimethyl- (PubChem CID 21702842) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,4-dimethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name1-Piperidinecarboxaldehyde, 3,4-dimethyl-
PubChem CID21702842
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,4-dimethylpiperidine-1-carbaldehyde
SMILESCC1CCN(CC1C)C=O
InChIInChI=1S/C8H15NO/c1-7-3-4-9(6-10)5-8(7)2/h6-8H,3-5H2,1-2H3
InChIKeyRGVAWGDYFIXCPU-UHFFFAOYSA-N
XLogP1.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity124

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylpiperidine-1-carbaldehyde
CID 102852
4-Fluoro-4-methylpiperidine-1-carbaldehyde
CID 129918325
N-Formyl-4-pipecoline
CID 11804772
3,5-Dimethylpiperidine-1-carbaldehyde
CID 21702755
4-Tert-butyl-3,3-difluoropiperidine-1-carbaldehyde
CID 58394802
4-Ethyl-3,3-difluoropiperidine-1-carbaldehyde
CID 88913127
3-Fluoro-3-methylpiperidine-1-carbaldehyde
CID 131997178
4-(2-Fluoroethyl)piperidine-1-carbaldehyde
CID 143168932
3-Fluoro-4-methylpiperidine-1-carbaldehyde
CID 145286909
4-(1,1,1-Trifluorobutan-2-yl)piperidine-1-carbaldehyde
CID 145287432
4-(Fluoromethyl)piperidine-1-carbaldehyde
CID 145594957
Piperidine, 1-acetyl-4-(1-methylethyl)-
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 1-Piperidinecarboxaldehyde, 3,4-dimethyl-?
The IUPAC name of 1-Piperidinecarboxaldehyde, 3,4-dimethyl- (CID 21702842) is 3,4-dimethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 1-Piperidinecarboxaldehyde, 3,4-dimethyl-?
The canonical SMILES for 1-Piperidinecarboxaldehyde, 3,4-dimethyl- is CC1CCN(CC1C)C=O.
What is the InChIKey of 1-Piperidinecarboxaldehyde, 3,4-dimethyl-?
The InChIKey is RGVAWGDYFIXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-3-4-9(6-10)5-8(7)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-Piperidinecarboxaldehyde, 3,4-dimethyl-?
1-Piperidinecarboxaldehyde, 3,4-dimethyl- has a molecular weight of 141.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Piperidinecarboxaldehyde, 3,4-dimethyl- is sourced from PubChem (CID 21702842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).