ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine

C15H25FN2 — CID 145145193

IUPACethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.Cc1ccc(CN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C13H19FN2.C2H6/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16;1-2/h3-4,9H,5-8,10H2,1-2H3;1-2H3
InChIKeyLJJVYIPZBRRHGQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.91
Rot. Bonds2

About ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine

ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine (PubChem CID 145145193) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
PubChem CID145145193
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Nameethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.Cc1ccc(CN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C13H19FN2.C2H6/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16;1-2/h3-4,9H,5-8,10H2,1-2H3;1-2H3
InChIKeyLJJVYIPZBRRHGQ-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine (CID 145145193) is ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine is CC.Cc1ccc(CN2CCN(C)CC2)c(F)c1.
What is the InChIKey of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine?
The InChIKey is LJJVYIPZBRRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.C2H6/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16;1-2/h3-4,9H,5-8,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine?
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine has a molecular weight of 252.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 145145193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).