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

C13H18N2O3 — CID 82755155

IUPAC(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCNC[C@H]2C)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-9-8-14-5-6-15(9)13(17)11-4-3-10(18-2)7-12(11)16/h3-4,7,9,14,16H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyXVFVRTWQTAHEFT-SECBINFHSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds2

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

(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82755155) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82755155
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCNC[C@H]2C)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-9-8-14-5-6-15(9)13(17)11-4-3-10(18-2)7-12(11)16/h3-4,7,9,14,16H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyXVFVRTWQTAHEFT-SECBINFHSA-N
XLogP0.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741876
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82755155) is (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCNC[C@H]2C)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is XVFVRTWQTAHEFT-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-14-5-6-15(9)13(17)11-4-3-10(18-2)7-12(11)16/h3-4,7,9,14,16H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82755155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).