1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one

C22H27FN2O3 — CID 73352714

IUPAC1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-21(27)20-5-3-4-6-22(20)28-16-19(26)15-24-11-13-25(14-12-24)18-9-7-17(23)8-10-18/h3-10,19,26H,2,11-16H2,1H3/t19-/m1/s1
InChIKeyALSFHTIGYJWHMP-LJQANCHMSA-N
MW386.47 g/mol
LogP2.98
Rot. Bonds8

About 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one

1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 73352714) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID73352714
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-21(27)20-5-3-4-6-22(20)28-16-19(26)15-24-11-13-25(14-12-24)18-9-7-17(23)8-10-18/h3-10,19,26H,2,11-16H2,1H3/t19-/m1/s1
InChIKeyALSFHTIGYJWHMP-LJQANCHMSA-N
XLogP2.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one (CID 73352714) is 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is ALSFHTIGYJWHMP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-2-21(27)20-5-3-4-6-22(20)28-16-19(26)15-24-11-13-25(14-12-24)18-9-7-17(23)8-10-18/h3-10,19,26H,2,11-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one?
1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 386.47 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 73352714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).