3-methyl-3-piperidin-1-ylbutanal

C10H19NO — CID 102486553

IUPAC3-methyl-3-piperidin-1-ylbutanal
SMILESCC(C)(CC=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,6-9-12)11-7-4-3-5-8-11/h9H,3-8H2,1-2H3
InChIKeyWJEVTFPTVHYQSY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-3-piperidin-1-ylbutanal

3-methyl-3-piperidin-1-ylbutanal (PubChem CID 102486553) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-ylbutanal.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-ylbutanal
PubChem CID102486553
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-3-piperidin-1-ylbutanal
SMILESCC(C)(CC=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,6-9-12)11-7-4-3-5-8-11/h9H,3-8H2,1-2H3
InChIKeyWJEVTFPTVHYQSY-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
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-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-Ethylpiperidine-3-Carbaldehyde Hydrochloride
CID 53398879
1-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
2,2-Dimethyl-3-(piperidin-1-yl)propanal
CID 3135970
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
CID 126752432
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
2-(1-Tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
CID 105453827
2-(4-Fluoropiperidin-1-yl)-2-methylpropanal
CID 164659331
2-Methyl-2-(piperidin-1-yl)propanal
CID 12542940
3-Piperidin-1-ylbutanal
CID 13720902

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-ylbutanal?
The IUPAC name of 3-methyl-3-piperidin-1-ylbutanal (CID 102486553) is 3-methyl-3-piperidin-1-ylbutanal.
What is the SMILES notation for 3-methyl-3-piperidin-1-ylbutanal?
The canonical SMILES for 3-methyl-3-piperidin-1-ylbutanal is CC(C)(CC=O)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-ylbutanal?
The InChIKey is WJEVTFPTVHYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,6-9-12)11-7-4-3-5-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-3-piperidin-1-ylbutanal?
3-methyl-3-piperidin-1-ylbutanal has a molecular weight of 169.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-ylbutanal is sourced from PubChem (CID 102486553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).