1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine

C20H25FN2 — CID 155710280

IUPAC1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine
SMILESCCc1ccc(CN2CCN(c3ccc(C)cc3F)CC2)cc1
InChIInChI=1S/C20H25FN2/c1-3-17-5-7-18(8-6-17)15-22-10-12-23(13-11-22)20-9-4-16(2)14-19(20)21/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyWNUDWDUSTGUSKH-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.02
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine

1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine (PubChem CID 155710280) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine
PubChem CID155710280
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine
SMILESCCc1ccc(CN2CCN(c3ccc(C)cc3F)CC2)cc1
InChIInChI=1S/C20H25FN2/c1-3-17-5-7-18(8-6-17)15-22-10-12-23(13-11-22)20-9-4-16(2)14-19(20)21/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyWNUDWDUSTGUSKH-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine (CID 155710280) is 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine is CCc1ccc(CN2CCN(c3ccc(C)cc3F)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine?
The InChIKey is WNUDWDUSTGUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-3-17-5-7-18(8-6-17)15-22-10-12-23(13-11-22)20-9-4-16(2)14-19(20)21/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine?
1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine has a molecular weight of 312.43 g/mol, XLogP of 4.02, 4 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-(2-fluoro-4-methylphenyl)piperazine is sourced from PubChem (CID 155710280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).