2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine

C18H29FN2 — CID 114349580

IUPAC2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(F)cc2C)C(CC)(CC)CN1
InChIInChI=1S/C18H29FN2/c1-5-17-12-21(18(6-2,7-3)13-20-17)11-15-8-9-16(19)10-14(15)4/h8-10,17,20H,5-7,11-13H2,1-4H3
InChIKeyTZZSGJLZIQOVAI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.88
Rot. Bonds5

About 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine

2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 114349580) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID114349580
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(F)cc2C)C(CC)(CC)CN1
InChIInChI=1S/C18H29FN2/c1-5-17-12-21(18(6-2,7-3)13-20-17)11-15-8-9-16(19)10-14(15)4/h8-10,17,20H,5-7,11-13H2,1-4H3
InChIKeyTZZSGJLZIQOVAI-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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine (CID 114349580) is 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine is CCC1CN(Cc2ccc(F)cc2C)C(CC)(CC)CN1.
What is the InChIKey of 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is TZZSGJLZIQOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-17-12-21(18(6-2,7-3)13-20-17)11-15-8-9-16(19)10-14(15)4/h8-10,17,20H,5-7,11-13H2,1-4H3.
What are the key properties of 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine 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 2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 114349580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).