4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine

C15H26N4 — CID 115240414

IUPAC4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
SMILESc1cncc(CCNCCCCN2CCNCC2)c1
InChIInChI=1S/C15H26N4/c1(2-11-19-12-9-17-10-13-19)6-16-8-5-15-4-3-7-18-14-15/h3-4,7,14,16-17H,1-2,5-6,8-13H2
InChIKeyGQMKVGWDPSTUEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.90
Rot. Bonds8

About 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine

4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine (PubChem CID 115240414) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
PubChem CID115240414
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
SMILESc1cncc(CCNCCCCN2CCNCC2)c1
InChIInChI=1S/C15H26N4/c1(2-11-19-12-9-17-10-13-19)6-16-8-5-15-4-3-7-18-14-15/h3-4,7,14,16-17H,1-2,5-6,8-13H2
InChIKeyGQMKVGWDPSTUEC-UHFFFAOYSA-N
XLogP0.90
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.90
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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Related Compounds

N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 115255405
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
5-(4-piperazin-1-ylbutyl)pyrimidine
CID 121009202
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The IUPAC name of 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine (CID 115240414) is 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine.
What is the SMILES notation for 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The canonical SMILES for 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine is c1cncc(CCNCCCCN2CCNCC2)c1.
What is the InChIKey of 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The InChIKey is GQMKVGWDPSTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1(2-11-19-12-9-17-10-13-19)6-16-8-5-15-4-3-7-18-14-15/h3-4,7,14,16-17H,1-2,5-6,8-13H2.
What are the key properties of 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine?
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine is sourced from PubChem (CID 115240414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).