(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

C14H20N2O2 — CID 103873477

IUPAC(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-8-12(17)4-5-13(10)14(18)16-7-6-15(3)11(2)9-16/h4-5,8,11,17H,6-7,9H2,1-3H3
InChIKeyDMMHTFUEAJGDOU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 103873477) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
PubChem CID103873477
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-8-12(17)4-5-13(10)14(18)16-7-6-15(3)11(2)9-16/h4-5,8,11,17H,6-7,9H2,1-3H3
InChIKeyDMMHTFUEAJGDOU-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103579414
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(4-hydroxy-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103865632
(3-bromo-4-methylphenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 79595257
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107671537

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (CID 103873477) is (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCN(C)C(C)C1.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is DMMHTFUEAJGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-12(17)4-5-13(10)14(18)16-7-6-15(3)11(2)9-16/h4-5,8,11,17H,6-7,9H2,1-3H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 103873477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).