6-butyl-4-methylpiperidine-2-carbaldehyde

C11H21NO — CID 174380729

IUPAC6-butyl-4-methylpiperidine-2-carbaldehyde
SMILESCCCCC1CC(C)CC(C=O)N1
InChIInChI=1S/C11H21NO/c1-3-4-5-10-6-9(2)7-11(8-13)12-10/h8-12H,3-7H2,1-2H3
InChIKeyQWWHFYFYBJDAGG-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds4

About 6-butyl-4-methylpiperidine-2-carbaldehyde

6-butyl-4-methylpiperidine-2-carbaldehyde (PubChem CID 174380729) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-butyl-4-methylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name6-butyl-4-methylpiperidine-2-carbaldehyde
PubChem CID174380729
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-butyl-4-methylpiperidine-2-carbaldehyde
SMILESCCCCC1CC(C)CC(C=O)N1
InChIInChI=1S/C11H21NO/c1-3-4-5-10-6-9(2)7-11(8-13)12-10/h8-12H,3-7H2,1-2H3
InChIKeyQWWHFYFYBJDAGG-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
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

2,4-dimethyl-6-propylpiperidine
CID 126500183
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
(2S,6S)-2,6-diethyl-4-methylpiperidine
CID 89305849
(2R,6S)-2,6-dibutylpiperidin-4-one
CID 24773544
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
3-butyl-4,5-dihydro-1H-pyrazole-5-carbaldehyde
CID 174378274
(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde
CID 59154033
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-methylpiperidine-2-carbaldehyde?
The IUPAC name of 6-butyl-4-methylpiperidine-2-carbaldehyde (CID 174380729) is 6-butyl-4-methylpiperidine-2-carbaldehyde.
What is the SMILES notation for 6-butyl-4-methylpiperidine-2-carbaldehyde?
The canonical SMILES for 6-butyl-4-methylpiperidine-2-carbaldehyde is CCCCC1CC(C)CC(C=O)N1.
What is the InChIKey of 6-butyl-4-methylpiperidine-2-carbaldehyde?
The InChIKey is QWWHFYFYBJDAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-10-6-9(2)7-11(8-13)12-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 6-butyl-4-methylpiperidine-2-carbaldehyde?
6-butyl-4-methylpiperidine-2-carbaldehyde has a molecular weight of 183.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-methylpiperidine-2-carbaldehyde is sourced from PubChem (CID 174380729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).