1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine

C17H24BrFN2 — CID 64859726

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyDKQMQQJTBIAJIV-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.80
Rot. Bonds4

About 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine

1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 64859726) 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-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID64859726
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyDKQMQQJTBIAJIV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64861649
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64934453
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine (CID 64859726) is 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is DKQMQQJTBIAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 355.30 g/mol, XLogP of 3.80, 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-propan-2-ylpiperazine is sourced from PubChem (CID 64859726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).