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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Related Compounds

1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-(2,5-dimethylphenyl)-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1378393
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde
CID 87309154
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221

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).