1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine

C15H21Cl2FN2 — CID 107579958

IUPAC1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)c(F)c(Cl)c2)C(CC)CN1
InChIInChI=1S/C15H21Cl2FN2/c1-3-5-10-9-20(11(4-2)8-19-10)12-6-13(16)15(18)14(17)7-12/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyPBTXJTZROTZEHV-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.49
Rot. Bonds4

About 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine

1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine (PubChem CID 107579958) has the molecular formula C15H21Cl2FN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
PubChem CID107579958
Molecular FormulaC15H21Cl2FN2
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)c(F)c(Cl)c2)C(CC)CN1
InChIInChI=1S/C15H21Cl2FN2/c1-3-5-10-9-20(11(4-2)8-19-10)12-6-13(16)15(18)14(17)7-12/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyPBTXJTZROTZEHV-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-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-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930985
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
CID 81289528
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine (CID 107579958) is 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine is CCCC1CN(c2cc(Cl)c(F)c(Cl)c2)C(CC)CN1.
What is the InChIKey of 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine?
The InChIKey is PBTXJTZROTZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2/c1-3-5-10-9-20(11(4-2)8-19-10)12-6-13(16)15(18)14(17)7-12/h6-7,10-11,19H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine?
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine has a molecular weight of 319.25 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 107579958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).