1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine

C20H25FN2O — CID 40514838

IUPAC1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H](C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O/c1-16(15-17-7-9-18(21)10-8-17)22-11-13-23(14-12-22)19-5-3-4-6-20(19)24-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyRBMRYLVZIIYZOZ-INIZCTEOSA-N
MW328.43 g/mol
LogP3.59
Rot. Bonds5

About 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine

1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 40514838) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID40514838
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H](C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O/c1-16(15-17-7-9-18(21)10-8-17)22-11-13-23(14-12-22)19-5-3-4-6-20(19)24-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyRBMRYLVZIIYZOZ-INIZCTEOSA-N
XLogP3.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane
CID 160640045
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1446486
3-[4-(2-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60915055
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
3-[(4-fluorophenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 42776347
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine (CID 40514838) is 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@@H](C)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is RBMRYLVZIIYZOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-16(15-17-7-9-18(21)10-8-17)22-11-13-23(14-12-22)19-5-3-4-6-20(19)24-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine?
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 328.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 40514838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).