1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine

C13H18BrClN2 — CID 91800436

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2/c1-2-16-5-7-17(8-6-16)10-11-3-4-12(14)9-13(11)15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyQWDVCTVGVPDVSM-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.24
Rot. Bonds3

About 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine

1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 91800436) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
PubChem CID91800436
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2/c1-2-16-5-7-17(8-6-16)10-11-3-4-12(14)9-13(11)15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyQWDVCTVGVPDVSM-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
(3S)-1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperazine
CID 103885703
1-[(4-bromo-2-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 113471566
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 86969627
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 166638870

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine (CID 91800436) is 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is QWDVCTVGVPDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-2-16-5-7-17(8-6-16)10-11-3-4-12(14)9-13(11)15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine?
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 317.66 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 91800436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).