1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine

C20H25FN2 — CID 7047274

IUPAC1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESC[C@H](CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-17(7-8-18-5-3-2-4-6-18)22-13-15-23(16-14-22)20-11-9-19(21)10-12-20/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m1/s1
InChIKeyCDARRQFNEBYXLP-QGZVFWFLSA-N
MW312.43 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine

1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine (PubChem CID 7047274) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
PubChem CID7047274
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESC[C@H](CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-17(7-8-18-5-3-2-4-6-18)22-13-15-23(16-14-22)20-11-9-19(21)10-12-20/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m1/s1
InChIKeyCDARRQFNEBYXLP-QGZVFWFLSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
1-(2,5-dimethylphenyl)-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1378393
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine (CID 7047274) is 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine is C[C@H](CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The InChIKey is CDARRQFNEBYXLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25FN2/c1-17(7-8-18-5-3-2-4-6-18)22-13-15-23(16-14-22)20-11-9-19(21)10-12-20/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine?
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine has a molecular weight of 312.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine is sourced from PubChem (CID 7047274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).