1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine

C17H20BrN3 — CID 3909060

IUPAC1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1C(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C17H20BrN3/c1-13-12-20-7-6-16(13)17(21-10-8-19-9-11-21)14-2-4-15(18)5-3-14/h2-7,12,17,19H,8-11H2,1H3
InChIKeyDEWMXIHYHFLPOB-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.15
Rot. Bonds3

About 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine

1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine (PubChem CID 3909060) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
PubChem CID3909060
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1C(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C17H20BrN3/c1-13-12-20-7-6-16(13)17(21-10-8-19-9-11-21)14-2-4-15(18)5-3-14/h2-7,12,17,19H,8-11H2,1H3
InChIKeyDEWMXIHYHFLPOB-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-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210
6-[(4-bromophenyl)-piperazin-1-ylmethyl]isoquinoline
CID 3499214
3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959
1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
CID 4267301
1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4295326
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3736535

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine (CID 3909060) is 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine is Cc1cnccc1C(c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine?
The InChIKey is DEWMXIHYHFLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13-12-20-7-6-16(13)17(21-10-8-19-9-11-21)14-2-4-15(18)5-3-14/h2-7,12,17,19H,8-11H2,1H3.
What are the key properties of 1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine?
1-[(4-bromophenyl)-(3-methyl-4-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-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 3909060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).