4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

C14H24N4 — CID 43252517

IUPAC4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCc1ccc(N2CCN(CCCCN)CC2)nc1
InChIInChI=1S/C14H24N4/c1-13-4-5-14(16-12-13)18-10-8-17(9-11-18)7-3-2-6-15/h4-5,12H,2-3,6-11,15H2,1H3
InChIKeyHPBOGWNHLJNHDS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.25
Rot. Bonds5

About 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (PubChem CID 43252517) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
PubChem CID43252517
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCc1ccc(N2CCN(CCCCN)CC2)nc1
InChIInChI=1S/C14H24N4/c1-13-4-5-14(16-12-13)18-10-8-17(9-11-18)7-3-2-6-15/h4-5,12H,2-3,6-11,15H2,1H3
InChIKeyHPBOGWNHLJNHDS-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
CID 143774965
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 106503661
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
CID 82166206
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
CID 59766715
CID 59766715

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (CID 43252517) is 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is Cc1ccc(N2CCN(CCCCN)CC2)nc1.
What is the InChIKey of 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The InChIKey is HPBOGWNHLJNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-4-5-14(16-12-13)18-10-8-17(9-11-18)7-3-2-6-15/h4-5,12H,2-3,6-11,15H2,1H3.
What are the key properties of 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 43252517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).