1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

C17H24BrFN2 — CID 79697666

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cc(F)cc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24BrFN2/c1-11(2)16-10-21(17(8-20-16)13-3-4-13)9-12-5-14(18)7-15(19)6-12/h5-7,11,13,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyOWYQTDJFGFRRDX-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.80
Rot. Bonds4

About 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (PubChem CID 79697666) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
PubChem CID79697666
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cc(F)cc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24BrFN2/c1-11(2)16-10-21(17(8-20-16)13-3-4-13)9-12-5-14(18)7-15(19)6-12/h5-7,11,13,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyOWYQTDJFGFRRDX-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

1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 107888494
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839236
1-[(3-bromo-5-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 79711387
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
5-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79701186
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
2-cyclohexyl-1-(cyclopentylmethyl)-5-propan-2-ylpiperazine
CID 64839249

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (CID 79697666) is 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2cc(F)cc(Br)c2)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The InChIKey is OWYQTDJFGFRRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c1-11(2)16-10-21(17(8-20-16)13-3-4-13)9-12-5-14(18)7-15(19)6-12/h5-7,11,13,16-17,20H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-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-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 79697666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).