(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C13H18N2O2 — CID 81426616

IUPAC(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN[C@H](C)C2)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(12(16)7-9)13(17)15-6-5-14-10(2)8-15/h3-4,7,10,14,16H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyNZEFGLHNGFXGNT-SNVBAGLBSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds1

About (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426616) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81426616
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN[C@H](C)C2)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(12(16)7-9)13(17)15-6-5-14-10(2)8-15/h3-4,7,10,14,16H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyNZEFGLHNGFXGNT-SNVBAGLBSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(4-bromo-2-hydroxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427467
(2-bromo-5-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427506
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 43603913
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81426616) is (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN[C@H](C)C2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is NZEFGLHNGFXGNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-11(12(16)7-9)13(17)15-6-5-14-10(2)8-15/h3-4,7,10,14,16H,5-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).