(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone

C19H21FN2O2 — CID 95577530

IUPAC(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-24-18(15-7-3-2-4-8-15)19(23)22-13-11-21(12-14-22)17-10-6-5-9-16(17)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyBZMJISPNUANDLZ-GOSISDBHSA-N
MW328.39 g/mol
LogP2.86
Rot. Bonds4

About (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone

(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 95577530) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID95577530
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-24-18(15-7-3-2-4-8-15)19(23)22-13-11-21(12-14-22)17-10-6-5-9-16(17)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyBZMJISPNUANDLZ-GOSISDBHSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095
4-[(2-fluorophenyl)methyl]-1-[(2S)-2-methoxy-2-phenylacetyl]-1,4-diazepan-5-one
CID 42499592
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone (CID 95577530) is (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone is CO[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is BZMJISPNUANDLZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18(15-7-3-2-4-8-15)19(23)22-13-11-21(12-14-22)17-10-6-5-9-16(17)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 328.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 95577530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).