2,4-di(piperidin-1-yl)aniline

C16H25N3 — CID 655480

IUPAC2,4-di(piperidin-1-yl)aniline
SMILESNc1ccc(N2CCCCC2)cc1N1CCCCC1
InChIInChI=1S/C16H25N3/c17-15-8-7-14(18-9-3-1-4-10-18)13-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2
InChIKeyCHRDROHURUMVLJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.25
Rot. Bonds2

About 2,4-di(piperidin-1-yl)aniline

2,4-di(piperidin-1-yl)aniline (PubChem CID 655480) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)aniline.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)aniline
PubChem CID655480
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,4-di(piperidin-1-yl)aniline
SMILESNc1ccc(N2CCCCC2)cc1N1CCCCC1
InChIInChI=1S/C16H25N3/c17-15-8-7-14(18-9-3-1-4-10-18)13-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2
InChIKeyCHRDROHURUMVLJ-UHFFFAOYSA-N
XLogP3.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)aniline?
The IUPAC name of 2,4-di(piperidin-1-yl)aniline (CID 655480) is 2,4-di(piperidin-1-yl)aniline.
What is the SMILES notation for 2,4-di(piperidin-1-yl)aniline?
The canonical SMILES for 2,4-di(piperidin-1-yl)aniline is Nc1ccc(N2CCCCC2)cc1N1CCCCC1.
What is the InChIKey of 2,4-di(piperidin-1-yl)aniline?
The InChIKey is CHRDROHURUMVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-15-8-7-14(18-9-3-1-4-10-18)13-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2.
What are the key properties of 2,4-di(piperidin-1-yl)aniline?
2,4-di(piperidin-1-yl)aniline has a molecular weight of 259.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)aniline is sourced from PubChem (CID 655480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).