2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol

C13H20N2O — CID 82755402

IUPAC2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
SMILESC[C@H]1CNCCN1CC(O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-11-9-14-7-8-15(11)10-13(16)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyOFTPWUUIHZKGMS-AMGKYWFPSA-N
MW220.32 g/mol
LogP1.01
Rot. Bonds3

About 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol

2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol (PubChem CID 82755402) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
PubChem CID82755402
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
SMILESC[C@H]1CNCCN1CC(O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-11-9-14-7-8-15(11)10-13(16)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyOFTPWUUIHZKGMS-AMGKYWFPSA-N
XLogP1.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178
(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120839154
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
CID 21292088
1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
CID 21292113
2-methyl-1-(3-phenylprop-2-enyl)piperazine
CID 75598897
1-[2-(4-fluorophenyl)propyl]-2-methylpiperazine
CID 120837102
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
1-(2-methoxyphenyl)-2-(2-phenylpiperazin-1-yl)ethanol
CID 21292084
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
CID 155756342
2-(2,2-dimethylpiperazin-1-yl)-1-phenylethanol
CID 65461803

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol (CID 82755402) is 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol is C[C@H]1CNCCN1CC(O)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is OFTPWUUIHZKGMS-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-14-7-8-15(11)10-13(16)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol?
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 220.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 82755402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).