1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

C17H20BrN3 — CID 3721209

IUPAC1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(C(c2cccc(Br)c2)N2CCNCC2)nc1
InChIInChI=1S/C17H20BrN3/c1-13-5-6-16(20-12-13)17(21-9-7-19-8-10-21)14-3-2-4-15(18)11-14/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyCNXSNKPYKZLATN-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.15
Rot. Bonds3

About 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 3721209) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
PubChem CID3721209
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(C(c2cccc(Br)c2)N2CCNCC2)nc1
InChIInChI=1S/C17H20BrN3/c1-13-5-6-16(20-12-13)17(21-9-7-19-8-10-21)14-3-2-4-15(18)11-14/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyCNXSNKPYKZLATN-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3732221
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(3-bromophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 5091302
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3580292
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
2-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3398080
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (CID 3721209) is 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is Cc1ccc(C(c2cccc(Br)c2)N2CCNCC2)nc1.
What is the InChIKey of 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is CNXSNKPYKZLATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13-5-6-16(20-12-13)17(21-9-7-19-8-10-21)14-3-2-4-15(18)11-14/h2-6,11-12,17,19H,7-10H2,1H3.
What are the key properties of 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 346.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 3721209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).