1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

C13H19FN2 — CID 64834243

IUPAC1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H19FN2/c1-13(2)10-16(8-7-15-13)9-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyCFXKHJHZLHEBFN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine (PubChem CID 64834243) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine
PubChem CID64834243
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H19FN2/c1-13(2)10-16(8-7-15-13)9-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyCFXKHJHZLHEBFN-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine (CID 64834243) is 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine is CC1(C)CN(Cc2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine?
The InChIKey is CFXKHJHZLHEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2)10-16(8-7-15-13)9-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine?
1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 64834243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).