4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

C14H23BrN4 — CID 106875241

IUPAC4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCc1ccnc(N2CCN(CCCCN)CC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-12-4-6-17-14(13(12)15)19-10-8-18(9-11-19)7-3-2-5-16/h4,6H,2-3,5,7-11,16H2,1H3
InChIKeyWYLWFAYNQKLDFO-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.01
Rot. Bonds5

About 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (PubChem CID 106875241) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
PubChem CID106875241
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCc1ccnc(N2CCN(CCCCN)CC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-12-4-6-17-14(13(12)15)19-10-8-18(9-11-19)7-3-2-5-16/h4,6H,2-3,5,7-11,16H2,1H3
InChIKeyWYLWFAYNQKLDFO-UHFFFAOYSA-N
XLogP2.01
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.01
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

1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
CID 104729861
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
CID 60871032

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (CID 106875241) is 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is Cc1ccnc(N2CCN(CCCCN)CC2)c1Br.
What is the InChIKey of 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The InChIKey is WYLWFAYNQKLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-12-4-6-17-14(13(12)15)19-10-8-18(9-11-19)7-3-2-5-16/h4,6H,2-3,5,7-11,16H2,1H3.
What are the key properties of 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 106875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).