bis(1-butylpiperidine);1-propylpiperidine

C26H55N3 — CID 142128700

IUPACbis(1-butylpiperidine);1-propylpiperidine
SMILESCCCCN1CCCCC1.CCCCN1CCCCC1.CCCN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17N/c2*1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9/h2*2-9H2,1H3;2-8H2,1H3
InChIKeyCZBNAXGDBYNHPY-UHFFFAOYSA-N
MW409.75 g/mol
LogP6.43
Rot. Bonds8

About bis(1-butylpiperidine);1-propylpiperidine

bis(1-butylpiperidine);1-propylpiperidine (PubChem CID 142128700) has the molecular formula C26H55N3 and a molecular weight of 409.75 g/mol. Its IUPAC name is bis(1-butylpiperidine);1-propylpiperidine.

Molecular Properties

Compound Namebis(1-butylpiperidine);1-propylpiperidine
PubChem CID142128700
Molecular FormulaC26H55N3
Molecular Weight409.75 g/mol
Exact Mass409.44
IUPAC Namebis(1-butylpiperidine);1-propylpiperidine
SMILESCCCCN1CCCCC1.CCCCN1CCCCC1.CCCN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17N/c2*1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9/h2*2-9H2,1H3;2-8H2,1H3
InChIKeyCZBNAXGDBYNHPY-UHFFFAOYSA-N
XLogP6.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.75
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(1-butylpiperidine);1-propylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-butylpiperidine);1-propylpiperidine?
The IUPAC name of bis(1-butylpiperidine);1-propylpiperidine (CID 142128700) is bis(1-butylpiperidine);1-propylpiperidine.
What is the SMILES notation for bis(1-butylpiperidine);1-propylpiperidine?
The canonical SMILES for bis(1-butylpiperidine);1-propylpiperidine is CCCCN1CCCCC1.CCCCN1CCCCC1.CCCN1CCCCC1.
What is the InChIKey of bis(1-butylpiperidine);1-propylpiperidine?
The InChIKey is CZBNAXGDBYNHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C8H17N/c2*1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9/h2*2-9H2,1H3;2-8H2,1H3.
What are the key properties of bis(1-butylpiperidine);1-propylpiperidine?
bis(1-butylpiperidine);1-propylpiperidine has a molecular weight of 409.75 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butylpiperidine);1-propylpiperidine is sourced from PubChem (CID 142128700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).