(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

C22H29FN2O2 — CID 30960704

IUPAC(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C22H29FN2O2/c1-17-7-8-18(2)22(13-17)27-16-20(26)15-25-11-9-24(10-12-25)14-19-5-3-4-6-21(19)23/h3-8,13,20,26H,9-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeyHJLGBFWXOSMISV-HXUWFJFHSA-N
MW372.48 g/mol
LogP3.00
Rot. Bonds7

About (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 30960704) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID30960704
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C22H29FN2O2/c1-17-7-8-18(2)22(13-17)27-16-20(26)15-25-11-9-24(10-12-25)14-19-5-3-4-6-21(19)23/h3-8,13,20,26H,9-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeyHJLGBFWXOSMISV-HXUWFJFHSA-N
XLogP3.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 7689535
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 878808
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,5-dimethylphenoxy)propan-2-ol chloride
CID 21237529
1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 134058236
2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46634139
1-(2,5-dimethylphenoxy)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 16553382
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol
CID 34065349
1-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]propan-1-one
CID 110899794

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 30960704) is (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is Cc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3ccccc3F)CC2)c1.
What is the InChIKey of (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is HJLGBFWXOSMISV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-17-7-8-18(2)22(13-17)27-16-20(26)15-25-11-9-24(10-12-25)14-19-5-3-4-6-21(19)23/h3-8,13,20,26H,9-12,14-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 372.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 30960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).