(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

C21H26F2N2O2 — CID 92752913

IUPAC(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1F)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2O2/c22-19-7-5-17(6-8-19)13-24-9-11-25(12-10-24)14-20(26)16-27-15-18-3-1-2-4-21(18)23/h1-8,20,26H,9-16H2/t20-/m1/s1
InChIKeySDKCASIKAOPJMZ-HXUWFJFHSA-N
MW376.45 g/mol
LogP2.66
Rot. Bonds8

About (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 92752913) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID92752913
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1F)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2O2/c22-19-7-5-17(6-8-19)13-24-9-11-25(12-10-24)14-20(26)16-27-15-18-3-1-2-4-21(18)23/h1-8,20,26H,9-16H2/t20-/m1/s1
InChIKeySDKCASIKAOPJMZ-HXUWFJFHSA-N
XLogP2.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol
CID 134033696
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
CID 32973607
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol
CID 3870393
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94806087
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 55346214

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 92752913) is (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is O[C@@H](COCc1ccccc1F)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is SDKCASIKAOPJMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-19-7-5-17(6-8-19)13-24-9-11-25(12-10-24)14-20(26)16-27-15-18-3-1-2-4-21(18)23/h1-8,20,26H,9-16H2/t20-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 376.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 92752913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).