1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine

C20H24F2N2 — CID 123523623

IUPAC1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)20-10-9-18(21)15-19(20)22/h2-6,9-10,15-16H,7-8,11-14H2,1H3
InChIKeyJEQKUMJBMVSDKH-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.11
Rot. Bonds5

About 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine

1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine (PubChem CID 123523623) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
PubChem CID123523623
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)20-10-9-18(21)15-19(20)22/h2-6,9-10,15-16H,7-8,11-14H2,1H3
InChIKeyJEQKUMJBMVSDKH-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine (CID 123523623) is 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine is CC(CCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine?
The InChIKey is JEQKUMJBMVSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)20-10-9-18(21)15-19(20)22/h2-6,9-10,15-16H,7-8,11-14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine?
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine has a molecular weight of 330.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine is sourced from PubChem (CID 123523623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).