4-(1-butylpiperidin-4-yl)butanal

C13H25NO — CID 54002027

IUPAC4-(1-butylpiperidin-4-yl)butanal
SMILESCCCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C13H25NO/c1-2-3-9-14-10-7-13(8-11-14)6-4-5-12-15/h12-13H,2-11H2,1H3
InChIKeyCPCJPHRVFMYJNN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds7

About 4-(1-butylpiperidin-4-yl)butanal

4-(1-butylpiperidin-4-yl)butanal (PubChem CID 54002027) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)butanal.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)butanal
PubChem CID54002027
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(1-butylpiperidin-4-yl)butanal
SMILESCCCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C13H25NO/c1-2-3-9-14-10-7-13(8-11-14)6-4-5-12-15/h12-13H,2-11H2,1H3
InChIKeyCPCJPHRVFMYJNN-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)butanal?
The IUPAC name of 4-(1-butylpiperidin-4-yl)butanal (CID 54002027) is 4-(1-butylpiperidin-4-yl)butanal.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)butanal?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)butanal is CCCCN1CCC(CCCC=O)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)butanal?
The InChIKey is CPCJPHRVFMYJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-9-14-10-7-13(8-11-14)6-4-5-12-15/h12-13H,2-11H2,1H3.
What are the key properties of 4-(1-butylpiperidin-4-yl)butanal?
4-(1-butylpiperidin-4-yl)butanal has a molecular weight of 211.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)butanal is sourced from PubChem (CID 54002027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).