(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol

C17H28N2O2 — CID 95610555

IUPAC(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc([C@H](O)CN2CCN(C[C@@H](C)O)CC2)cc1C
InChIInChI=1S/C17H28N2O2/c1-13-4-5-16(10-14(13)2)17(21)12-19-8-6-18(7-9-19)11-15(3)20/h4-5,10,15,17,20-21H,6-9,11-12H2,1-3H3/t15-,17-/m1/s1
InChIKeyJFTYCVOFXXKDOQ-NVXWUHKLSA-N
MW292.42 g/mol
LogP1.34
Rot. Bonds5

About (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol (PubChem CID 95610555) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
PubChem CID95610555
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc([C@H](O)CN2CCN(C[C@@H](C)O)CC2)cc1C
InChIInChI=1S/C17H28N2O2/c1-13-4-5-16(10-14(13)2)17(21)12-19-8-6-18(7-9-19)11-15(3)20/h4-5,10,15,17,20-21H,6-9,11-12H2,1-3H3/t15-,17-/m1/s1
InChIKeyJFTYCVOFXXKDOQ-NVXWUHKLSA-N
XLogP1.34
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027
1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95138379
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
tert-butyl 4-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771178
(1R)-1-(3,4-dimethylphenyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanol
CID 95607590
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51501390
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol (CID 95610555) is (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol is Cc1ccc([C@H](O)CN2CCN(C[C@@H](C)O)CC2)cc1C.
What is the InChIKey of (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is JFTYCVOFXXKDOQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-4-5-16(10-14(13)2)17(21)12-19-8-6-18(7-9-19)11-15(3)20/h4-5,10,15,17,20-21H,6-9,11-12H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95610555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).