5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine

C18H29FN2 — CID 114349594

IUPAC5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1ccc(F)cc1C
InChIInChI=1S/C18H29FN2/c1-5-7-17-11-20-18(4,6-2)13-21(17)12-15-8-9-16(19)10-14(15)3/h8-10,17,20H,5-7,11-13H2,1-4H3
InChIKeyBLFIMPKNVNCTRZ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.88
Rot. Bonds5

About 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine

5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine (PubChem CID 114349594) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
PubChem CID114349594
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1ccc(F)cc1C
InChIInChI=1S/C18H29FN2/c1-5-7-17-11-20-18(4,6-2)13-21(17)12-15-8-9-16(19)10-14(15)3/h8-10,17,20H,5-7,11-13H2,1-4H3
InChIKeyBLFIMPKNVNCTRZ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-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

2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
CID 105375725
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
CID 114349572
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871241
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107898018

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine?
The IUPAC name of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine (CID 114349594) is 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine?
The canonical SMILES for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine is CCCC1CNC(C)(CC)CN1Cc1ccc(F)cc1C.
What is the InChIKey of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine?
The InChIKey is BLFIMPKNVNCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-7-17-11-20-18(4,6-2)13-21(17)12-15-8-9-16(19)10-14(15)3/h8-10,17,20H,5-7,11-13H2,1-4H3.
What are the key properties of 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine?
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine is sourced from PubChem (CID 114349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).