(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

C13H19FN2O — CID 93355134

IUPAC(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O/c1-11(17)10-15-6-8-16(9-7-15)13-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeySSOYQTKLVXAHRV-NSHDSACASA-N
MW238.31 g/mol
LogP1.33
Rot. Bonds3

About (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 93355134) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID93355134
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O/c1-11(17)10-15-6-8-16(9-7-15)13-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeySSOYQTKLVXAHRV-NSHDSACASA-N
XLogP1.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 93355134) is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is SSOYQTKLVXAHRV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2O/c1-11(17)10-15-6-8-16(9-7-15)13-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 93355134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).