2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone

C19H27BrN2O — CID 113074946

IUPAC2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H27BrN2O/c20-18-10-6-5-7-16(18)15-19(23)22-13-11-21(12-14-22)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2
InChIKeyYSOOGMBPCQEIAD-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone

2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone (PubChem CID 113074946) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
PubChem CID113074946
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H27BrN2O/c20-18-10-6-5-7-16(18)15-19(23)22-13-11-21(12-14-22)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2
InChIKeyYSOOGMBPCQEIAD-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
3-(2-bromophenyl)sulfanyl-1-(4-cyclopentylpiperazin-1-yl)propan-1-one
CID 55712713
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 12805065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone (CID 113074946) is 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone is O=C(Cc1ccccc1Br)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone?
The InChIKey is YSOOGMBPCQEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c20-18-10-6-5-7-16(18)15-19(23)22-13-11-21(12-14-22)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2.
What are the key properties of 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone?
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone has a molecular weight of 379.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone is sourced from PubChem (CID 113074946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).