(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone

C13H16BrFN2O — CID 113250757

IUPAC(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C13H16BrFN2O/c1-2-16-6-8-17(9-7-16)13(18)12-10(14)4-3-5-11(12)15/h3-5H,2,6-9H2,1H3
InChIKeyNZEHENQZUGXLFG-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.37
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone

(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 113250757) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID113250757
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C13H16BrFN2O/c1-2-16-6-8-17(9-7-16)13(18)12-10(14)4-3-5-11(12)15/h3-5H,2,6-9H2,1H3
InChIKeyNZEHENQZUGXLFG-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 114560996
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561026
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 114560153
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]butanenitrile
CID 114559213
(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113257009
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
CID 115678904
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 79772864
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 114559212
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone (CID 113250757) is (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2c(F)cccc2Br)CC1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is NZEHENQZUGXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-2-16-6-8-17(9-7-16)13(18)12-10(14)4-3-5-11(12)15/h3-5H,2,6-9H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 315.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 113250757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).