1-[(4-fluorophenyl)methyl]-4-methylpiperazine

C12H17FN2 — CID 765182

IUPAC1-[(4-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
InChIKeyKFMDNJJTGINMCS-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.57
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4-methylpiperazine

1-[(4-fluorophenyl)methyl]-4-methylpiperazine (PubChem CID 765182) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methylpiperazine
PubChem CID765182
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
InChIKeyKFMDNJJTGINMCS-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylpiperazine (CID 765182) is 1-[(4-fluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is KFMDNJJTGINMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methylpiperazine?
1-[(4-fluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).