2,3-di(piperidin-1-yl)butanal

C14H26N2O — CID 15251906

IUPAC2,3-di(piperidin-1-yl)butanal
SMILESCC(C(C=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(15-8-4-2-5-9-15)14(12-17)16-10-6-3-7-11-16/h12-14H,2-11H2,1H3
InChIKeyFODMVCVZUZJRES-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.91
Rot. Bonds4

About 2,3-di(piperidin-1-yl)butanal

2,3-di(piperidin-1-yl)butanal (PubChem CID 15251906) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,3-di(piperidin-1-yl)butanal.

Molecular Properties

Compound Name2,3-di(piperidin-1-yl)butanal
PubChem CID15251906
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,3-di(piperidin-1-yl)butanal
SMILESCC(C(C=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(15-8-4-2-5-9-15)14(12-17)16-10-6-3-7-11-16/h12-14H,2-11H2,1H3
InChIKeyFODMVCVZUZJRES-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(piperidin-1-yl)butanal?
The IUPAC name of 2,3-di(piperidin-1-yl)butanal (CID 15251906) is 2,3-di(piperidin-1-yl)butanal.
What is the SMILES notation for 2,3-di(piperidin-1-yl)butanal?
The canonical SMILES for 2,3-di(piperidin-1-yl)butanal is CC(C(C=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2,3-di(piperidin-1-yl)butanal?
The InChIKey is FODMVCVZUZJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(15-8-4-2-5-9-15)14(12-17)16-10-6-3-7-11-16/h12-14H,2-11H2,1H3.
What are the key properties of 2,3-di(piperidin-1-yl)butanal?
2,3-di(piperidin-1-yl)butanal has a molecular weight of 238.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(piperidin-1-yl)butanal is sourced from PubChem (CID 15251906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).