1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine

C16H22BrFN2 — CID 64862407

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H22BrFN2/c1-2-13-8-19-16(12-4-5-12)10-20(13)9-11-3-6-15(18)14(17)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3
InChIKeyYWFKIUBAVXZTCT-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.55
Rot. Bonds4

About 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine

1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine (PubChem CID 64862407) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
PubChem CID64862407
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H22BrFN2/c1-2-13-8-19-16(12-4-5-12)10-20(13)9-11-3-6-15(18)14(17)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3
InChIKeyYWFKIUBAVXZTCT-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-ethylpiperazine
CID 64841431
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 64862217
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
1-[(3-bromo-4-fluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 64869413
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine (CID 64862407) is 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine is CCC1CNC(C2CC2)CN1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The InChIKey is YWFKIUBAVXZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c1-2-13-8-19-16(12-4-5-12)10-20(13)9-11-3-6-15(18)14(17)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine has a molecular weight of 341.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine is sourced from PubChem (CID 64862407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).