1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine

C16H23BrF2N2 — CID 106273342

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H23BrF2N2/c1-3-5-12-8-20-11(4-2)9-21(12)10-13-15(18)7-6-14(17)16(13)19/h6-7,11-12,20H,3-5,8-10H2,1-2H3
InChIKeyDPJQDXBYOFYRQO-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.08
Rot. Bonds5

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine

1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine (PubChem CID 106273342) has the molecular formula C16H23BrF2N2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
PubChem CID106273342
Molecular FormulaC16H23BrF2N2
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H23BrF2N2/c1-3-5-12-8-20-11(4-2)9-21(12)10-13-15(18)7-6-14(17)16(13)19/h6-7,11-12,20H,3-5,8-10H2,1-2H3
InChIKeyDPJQDXBYOFYRQO-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64841727
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
CID 114349572
1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
CID 65331268
5-[(3-bromo-2,6-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106264888
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
5-ethyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64842892
5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
CID 82885141
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
CID 106273284
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-(3-bromopropyl)pyrrolidine
CID 114166788

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine (CID 106273342) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The InChIKey is DPJQDXBYOFYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2N2/c1-3-5-12-8-20-11(4-2)9-21(12)10-13-15(18)7-6-14(17)16(13)19/h6-7,11-12,20H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine has a molecular weight of 361.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine is sourced from PubChem (CID 106273342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).