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

C14H30N4 — CID 10244061

IUPACN,N'-di(piperidin-4-yl)butane-1,4-diamine
SMILESC(CCNC1CCNCC1)CNC1CCNCC1
InChIInChI=1S/C14H30N4/c1(7-17-13-3-9-15-10-4-13)2-8-18-14-5-11-16-12-6-14/h13-18H,1-12H2
InChIKeyZNPKYXSMCIXACF-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.45
Rot. Bonds7

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

N,N'-di(piperidin-4-yl)butane-1,4-diamine (PubChem CID 10244061) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N'-di(piperidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-di(piperidin-4-yl)butane-1,4-diamine
PubChem CID10244061
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN,N'-di(piperidin-4-yl)butane-1,4-diamine
SMILESC(CCNC1CCNCC1)CNC1CCNCC1
InChIInChI=1S/C14H30N4/c1(7-17-13-3-9-15-10-4-13)2-8-18-14-5-11-16-12-6-14/h13-18H,1-12H2
InChIKeyZNPKYXSMCIXACF-UHFFFAOYSA-N
XLogP0.45
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.45
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)butane-1,4-diamine?
The IUPAC name of N,N'-di(piperidin-4-yl)butane-1,4-diamine (CID 10244061) is N,N'-di(piperidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-di(piperidin-4-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-di(piperidin-4-yl)butane-1,4-diamine is C(CCNC1CCNCC1)CNC1CCNCC1.
What is the InChIKey of N,N'-di(piperidin-4-yl)butane-1,4-diamine?
The InChIKey is ZNPKYXSMCIXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1(7-17-13-3-9-15-10-4-13)2-8-18-14-5-11-16-12-6-14/h13-18H,1-12H2.
What are the key properties of N,N'-di(piperidin-4-yl)butane-1,4-diamine?
N,N'-di(piperidin-4-yl)butane-1,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 0.45, 7 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)butane-1,4-diamine is sourced from PubChem (CID 10244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).