[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine

C16H19BrN4 — CID 114879434

IUPAC[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1c(Br)cccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19BrN4/c17-14-4-3-5-15(13(14)12-18)20-8-10-21(11-9-20)16-6-1-2-7-19-16/h1-7H,8-12,18H2
InChIKeyANTWOYAWJPLZOV-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.63
Rot. Bonds3

About [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine

[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 114879434) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID114879434
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1c(Br)cccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19BrN4/c17-14-4-3-5-15(13(14)12-18)20-8-10-21(11-9-20)16-6-1-2-7-19-16/h1-7H,8-12,18H2
InChIKeyANTWOYAWJPLZOV-UHFFFAOYSA-N
XLogP2.63
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43364923
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
CID 86818361
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-[5-bromo-2-(bromomethyl)phenyl]-4-pyridin-2-ylpiperazine
CID 107079309
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2-chloro-6-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 29053148

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine (CID 114879434) is [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine is NCc1c(Br)cccc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is ANTWOYAWJPLZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-14-4-3-5-15(13(14)12-18)20-8-10-21(11-9-20)16-6-1-2-7-19-16/h1-7H,8-12,18H2.
What are the key properties of [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine?
[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 347.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114879434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).