1-butanoylpiperidine-2-carbaldehyde

C10H17NO2 — CID 54501812

IUPAC1-butanoylpiperidine-2-carbaldehyde
SMILESCCCC(=O)N1CCCCC1C=O
InChIInChI=1S/C10H17NO2/c1-2-5-10(13)11-7-4-3-6-9(11)8-12/h8-9H,2-7H2,1H3
InChIKeyVQJCWQVJWWTJJE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds3

About 1-butanoylpiperidine-2-carbaldehyde

1-butanoylpiperidine-2-carbaldehyde (PubChem CID 54501812) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-butanoylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-butanoylpiperidine-2-carbaldehyde
PubChem CID54501812
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-butanoylpiperidine-2-carbaldehyde
SMILESCCCC(=O)N1CCCCC1C=O
InChIInChI=1S/C10H17NO2/c1-2-5-10(13)11-7-4-3-6-9(11)8-12/h8-9H,2-7H2,1H3
InChIKeyVQJCWQVJWWTJJE-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
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

tert-Butyl 2-formylpiperidine-1-carboxylate
CID 10656219
tert-butyl (2R)-2-formylpiperidine-1-carboxylate
CID 10703805
(S)-tert-butyl 2-formylpiperidine-1-carboxylate
CID 11095944
N,N-diethyl-6-oxohexanamide
CID 10899353
1-Acetylpiperidine-2-carbaldehyde
CID 58639891
1-Piperidinecarboxaldehyde, 2-acetyl-
CID 12436236
1-(2-Methylpiperidin-1-yl)hexan-1-one
CID 304110
(2S)-1-methylpiperidine-2-carbaldehyde
CID 10240816
1-Methylpiperidine-2-carbaldehyde
CID 13837870
(R)-1-Methylpiperidine-2-carbaldehyde
CID 18391375
2-[4-(Dimethylamino)piperidin-1-yl]-2-oxoacetaldehyde
CID 21030954
2-Formylpiperidine-1-carboxylic acid
CID 21251283

Frequently Asked Questions

What is the IUPAC name of 1-butanoylpiperidine-2-carbaldehyde?
The IUPAC name of 1-butanoylpiperidine-2-carbaldehyde (CID 54501812) is 1-butanoylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-butanoylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-butanoylpiperidine-2-carbaldehyde is CCCC(=O)N1CCCCC1C=O.
What is the InChIKey of 1-butanoylpiperidine-2-carbaldehyde?
The InChIKey is VQJCWQVJWWTJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-10(13)11-7-4-3-6-9(11)8-12/h8-9H,2-7H2,1H3.
What are the key properties of 1-butanoylpiperidine-2-carbaldehyde?
1-butanoylpiperidine-2-carbaldehyde has a molecular weight of 183.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoylpiperidine-2-carbaldehyde is sourced from PubChem (CID 54501812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).