(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol

C13H20N2O — CID 78939148

IUPAC(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H20N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6,11,16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyJTKYBOZDZPRTSB-LLVKDONJSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds2

About (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol

(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 78939148) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID78939148
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H20N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6,11,16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyJTKYBOZDZPRTSB-LLVKDONJSA-N
XLogP1.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63610426
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
CID 77131318
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
CID 66517945
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol (CID 78939148) is (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol is C[C@@H](O)c1ccccc1N1CCN(C)CC1.
What is the InChIKey of (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is JTKYBOZDZPRTSB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6,11,16H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol?
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).