1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine

C22H23F2N3 — CID 16728513

IUPAC1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
SMILESCN1CCN(c2cc(Cc3ccccc3F)cn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2N3/c1-25-10-12-26(13-11-25)22-15-17(14-18-4-2-3-5-21(18)24)16-27(22)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3
InChIKeyMHZKCWWZKKTKGW-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine

1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine (PubChem CID 16728513) has the molecular formula C22H23F2N3 and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
PubChem CID16728513
Molecular FormulaC22H23F2N3
Molecular Weight367.44 g/mol
Exact Mass367.19
IUPAC Name1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
SMILESCN1CCN(c2cc(Cc3ccccc3F)cn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2N3/c1-25-10-12-26(13-11-25)22-15-17(14-18-4-2-3-5-21(18)24)16-27(22)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3
InChIKeyMHZKCWWZKKTKGW-UHFFFAOYSA-N
XLogP4.10
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine (CID 16728513) is 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine is CN1CCN(c2cc(Cc3ccccc3F)cn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The InChIKey is MHZKCWWZKKTKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3/c1-25-10-12-26(13-11-25)22-15-17(14-18-4-2-3-5-21(18)24)16-27(22)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine has a molecular weight of 367.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]pyrrol-2-yl]-4-methylpiperazine is sourced from PubChem (CID 16728513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).