1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine

C16H25FN4 — CID 84753167

IUPAC1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C16H25FN4/c1-19-8-10-20(11-9-19)13-14-2-3-15(17)16(12-14)21-6-4-18-5-7-21/h2-3,12,18H,4-11,13H2,1H3
InChIKeyBBLKDYACRZKCDQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.98
Rot. Bonds3

About 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine

1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine (PubChem CID 84753167) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
PubChem CID84753167
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C16H25FN4/c1-19-8-10-20(11-9-19)13-14-2-3-15(17)16(12-14)21-6-4-18-5-7-21/h2-3,12,18H,4-11,13H2,1H3
InChIKeyBBLKDYACRZKCDQ-UHFFFAOYSA-N
XLogP0.98
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine (CID 84753167) is 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1.
What is the InChIKey of 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine?
The InChIKey is BBLKDYACRZKCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-19-8-10-20(11-9-19)13-14-2-3-15(17)16(12-14)21-6-4-18-5-7-21/h2-3,12,18H,4-11,13H2,1H3.
What are the key properties of 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine?
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine has a molecular weight of 292.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 84753167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).