1-(3,4-difluorophenyl)-3-propylpiperazine

C13H18F2N2 — CID 64923821

IUPAC1-(3,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C13H18F2N2/c1-2-3-10-9-17(7-6-16-10)11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyJPHGXVPRTULYHW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.54
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-propylpiperazine

1-(3,4-difluorophenyl)-3-propylpiperazine (PubChem CID 64923821) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-propylpiperazine
PubChem CID64923821
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(3,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C13H18F2N2/c1-2-3-10-9-17(7-6-16-10)11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyJPHGXVPRTULYHW-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3-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-(4-chlorophenyl)-3-propylpiperazine
CID 64925256
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
1-(4-bromophenyl)-3-propylpiperazine
CID 64925281
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990
1-(3-bromo-4-iodophenyl)-3-propylpiperazine
CID 114262416
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394
N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline
CID 115379367
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
CID 102855240
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
CID 79771519
1-(1-methylpyrazol-4-yl)-3-propylpiperazine
CID 64925636

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-propylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-propylpiperazine (CID 64923821) is 1-(3,4-difluorophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-propylpiperazine is CCCC1CN(c2ccc(F)c(F)c2)CCN1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-propylpiperazine?
The InChIKey is JPHGXVPRTULYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-3-10-9-17(7-6-16-10)11-4-5-12(14)13(15)8-11/h4-5,8,10,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-propylpiperazine?
1-(3,4-difluorophenyl)-3-propylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-propylpiperazine is sourced from PubChem (CID 64923821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).