N,N'-di(piperidin-4-yl)propane-1,3-diamine

C13H28N4 — CID 10105716

IUPACN,N'-di(piperidin-4-yl)propane-1,3-diamine
SMILESC(CNC1CCNCC1)CNC1CCNCC1
InChIInChI=1S/C13H28N4/c1(6-16-12-2-8-14-9-3-12)7-17-13-4-10-15-11-5-13/h12-17H,1-11H2
InChIKeyTVKIQDZXLBOEDA-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.06
Rot. Bonds6

About N,N'-di(piperidin-4-yl)propane-1,3-diamine

N,N'-di(piperidin-4-yl)propane-1,3-diamine (PubChem CID 10105716) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N,N'-di(piperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-di(piperidin-4-yl)propane-1,3-diamine
PubChem CID10105716
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN,N'-di(piperidin-4-yl)propane-1,3-diamine
SMILESC(CNC1CCNCC1)CNC1CCNCC1
InChIInChI=1S/C13H28N4/c1(6-16-12-2-8-14-9-3-12)7-17-13-4-10-15-11-5-13/h12-17H,1-11H2
InChIKeyTVKIQDZXLBOEDA-UHFFFAOYSA-N
XLogP0.06
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(piperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-di(piperidin-4-yl)propane-1,3-diamine (CID 10105716) is N,N'-di(piperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-di(piperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-di(piperidin-4-yl)propane-1,3-diamine is C(CNC1CCNCC1)CNC1CCNCC1.
What is the InChIKey of N,N'-di(piperidin-4-yl)propane-1,3-diamine?
The InChIKey is TVKIQDZXLBOEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1(6-16-12-2-8-14-9-3-12)7-17-13-4-10-15-11-5-13/h12-17H,1-11H2.
What are the key properties of N,N'-di(piperidin-4-yl)propane-1,3-diamine?
N,N'-di(piperidin-4-yl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(piperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).