N-butyl-4-piperazin-1-ylpyridin-2-amine

C13H22N4 — CID 44546969

IUPACN-butyl-4-piperazin-1-ylpyridin-2-amine
SMILESCCCCNc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C13H22N4/c1-2-3-5-15-13-11-12(4-6-16-13)17-9-7-14-8-10-17/h4,6,11,14H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyCYURRULFWMNYCD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.70
Rot. Bonds5

About N-butyl-4-piperazin-1-ylpyridin-2-amine

N-butyl-4-piperazin-1-ylpyridin-2-amine (PubChem CID 44546969) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-butyl-4-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-piperazin-1-ylpyridin-2-amine
PubChem CID44546969
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-butyl-4-piperazin-1-ylpyridin-2-amine
SMILESCCCCNc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C13H22N4/c1-2-3-5-15-13-11-12(4-6-16-13)17-9-7-14-8-10-17/h4,6,11,14H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyCYURRULFWMNYCD-UHFFFAOYSA-N
XLogP1.70
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-butyl-4-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-butyl-4-piperazin-1-ylpyridin-2-amine (CID 44546969) is N-butyl-4-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-butyl-4-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-butyl-4-piperazin-1-ylpyridin-2-amine is CCCCNc1cc(N2CCNCC2)ccn1.
What is the InChIKey of N-butyl-4-piperazin-1-ylpyridin-2-amine?
The InChIKey is CYURRULFWMNYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-3-5-15-13-11-12(4-6-16-13)17-9-7-14-8-10-17/h4,6,11,14H,2-3,5,7-10H2,1H3,(H,15,16).
What are the key properties of N-butyl-4-piperazin-1-ylpyridin-2-amine?
N-butyl-4-piperazin-1-ylpyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 44546969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).