1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine

C16H18BrN3 — CID 120755894

IUPAC1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H18BrN3/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14/h1-7,10,16,19H,8-9,11-12H2
InChIKeyXWLUFWCJSJDXOW-UHFFFAOYSA-N
MW332.25 g/mol
LogP2.99
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine

1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120755894) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120755894
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H18BrN3/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14/h1-7,10,16,19H,8-9,11-12H2
InChIKeyXWLUFWCJSJDXOW-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 120755758
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755708
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120755894) is 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine is Brc1ccc(CN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is XWLUFWCJSJDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14/h1-7,10,16,19H,8-9,11-12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 332.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120755894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).