1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine

C15H22F2N2 — CID 103587633

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(F)c(C)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-5-12-9-19(11(3)8-18-12)15-7-13(16)10(2)6-14(15)17/h6-7,11-12,18H,4-5,8-9H2,1-3H3
InChIKeyMYNPGEBSDSDNMA-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine

1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine (PubChem CID 103587633) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
PubChem CID103587633
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(F)c(C)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-5-12-9-19(11(3)8-18-12)15-7-13(16)10(2)6-14(15)17/h6-7,11-12,18H,4-5,8-9H2,1-3H3
InChIKeyMYNPGEBSDSDNMA-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluoro-4-methylphenyl)-2-methyl-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-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64931762
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine (CID 103587633) is 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2cc(F)c(C)cc2F)C(C)CN1.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine?
The InChIKey is MYNPGEBSDSDNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-5-12-9-19(11(3)8-18-12)15-7-13(16)10(2)6-14(15)17/h6-7,11-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine?
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 103587633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).