1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

C20H25FN2 — CID 881940

IUPAC1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyCTMNGFVWRATXFJ-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.71
Rot. Bonds5

About 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 881940) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID881940
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyCTMNGFVWRATXFJ-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine 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

Phencyclidine
CID 6468
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Flunarizine
CID 941361
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
1,4-Dibenzylpiperazine
CID 200601
Diphemanil
CID 6127
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
1-Benzyl-4-methyl-piperazine
CID 763557

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 881940) is 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is CCc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is CTMNGFVWRATXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 312.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 881940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).