1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine

C17H24BrFN2 — CID 64875773

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-3-15-9-20-17(2,13-4-5-13)11-21(15)10-12-8-14(18)6-7-16(12)19/h6-8,13,15,20H,3-5,9-11H2,1-2H3
InChIKeyDHXJMOSEPJKPKN-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.94
Rot. Bonds4

About 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine

1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine (PubChem CID 64875773) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
PubChem CID64875773
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-3-15-9-20-17(2,13-4-5-13)11-21(15)10-12-8-14(18)6-7-16(12)19/h6-8,13,15,20H,3-5,9-11H2,1-2H3
InChIKeyDHXJMOSEPJKPKN-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 64877865
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64948017
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
1-[(5-bromo-2-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869799

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine (CID 64875773) is 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The InChIKey is DHXJMOSEPJKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c1-3-15-9-20-17(2,13-4-5-13)11-21(15)10-12-8-14(18)6-7-16(12)19/h6-8,13,15,20H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine?
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine has a molecular weight of 355.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64875773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).