(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone

C13H18N2O2 — CID 82829933

IUPAC(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H18N2O2/c1-9-8-15(7-6-14-9)13(17)11-4-3-5-12(16)10(11)2/h3-5,9,14,16H,6-8H2,1-2H3
InChIKeyZQGMFTYLLWGSIG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds1

About (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone

(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 82829933) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID82829933
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H18N2O2/c1-9-8-15(7-6-14-9)13(17)11-4-3-5-12(16)10(11)2/h3-5,9,14,16H,6-8H2,1-2H3
InChIKeyZQGMFTYLLWGSIG-UHFFFAOYSA-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

(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone (CID 82829933) is (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone is Cc1c(O)cccc1C(=O)N1CCNC(C)C1.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is ZQGMFTYLLWGSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-15(7-6-14-9)13(17)11-4-3-5-12(16)10(11)2/h3-5,9,14,16H,6-8H2,1-2H3.
What are the key properties of (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
(3-hydroxy-2-methylphenyl)-(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 (3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 82829933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).