3-methyl-4-[(2S)-piperazin-2-yl]phenol

C11H16N2O — CID 55265321

IUPAC3-methyl-4-[(2S)-piperazin-2-yl]phenol
SMILESCc1cc(O)ccc1[C@H]1CNCCN1
InChIInChI=1S/C11H16N2O/c1-8-6-9(14)2-3-10(8)11-7-12-4-5-13-11/h2-3,6,11-14H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyCMGGIUPEIAMONK-LLVKDONJSA-N
MW192.26 g/mol
LogP0.93
Rot. Bonds1

About 3-methyl-4-[(2S)-piperazin-2-yl]phenol

3-methyl-4-[(2S)-piperazin-2-yl]phenol (PubChem CID 55265321) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-4-[(2S)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[(2S)-piperazin-2-yl]phenol
PubChem CID55265321
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-4-[(2S)-piperazin-2-yl]phenol
SMILESCc1cc(O)ccc1[C@H]1CNCCN1
InChIInChI=1S/C11H16N2O/c1-8-6-9(14)2-3-10(8)11-7-12-4-5-13-11/h2-3,6,11-14H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyCMGGIUPEIAMONK-LLVKDONJSA-N
XLogP0.93
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
3-methyl-4-[(2S)-piperazin-2-yl]aniline
CID 130956222
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
4-[2,5-dimethyl-3-[(2R)-piperazin-2-yl]pyrrol-1-yl]phenol
CID 165353670
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
2-methyl-3-piperazin-2-ylaniline
CID 122512540
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
tert-butyl formate;3-piperazin-2-ylphenol
CID 174756939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2S)-piperazin-2-yl]phenol?
The IUPAC name of 3-methyl-4-[(2S)-piperazin-2-yl]phenol (CID 55265321) is 3-methyl-4-[(2S)-piperazin-2-yl]phenol.
What is the SMILES notation for 3-methyl-4-[(2S)-piperazin-2-yl]phenol?
The canonical SMILES for 3-methyl-4-[(2S)-piperazin-2-yl]phenol is Cc1cc(O)ccc1[C@H]1CNCCN1.
What is the InChIKey of 3-methyl-4-[(2S)-piperazin-2-yl]phenol?
The InChIKey is CMGGIUPEIAMONK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-9(14)2-3-10(8)11-7-12-4-5-13-11/h2-3,6,11-14H,4-5,7H2,1H3/t11-/m1/s1.
What are the key properties of 3-methyl-4-[(2S)-piperazin-2-yl]phenol?
3-methyl-4-[(2S)-piperazin-2-yl]phenol has a molecular weight of 192.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2S)-piperazin-2-yl]phenol is sourced from PubChem (CID 55265321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).