(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C15H22N2O3 — CID 63619887

IUPAC(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C(C)(C)C2)c(O)c1
InChIInChI=1S/C15H22N2O3/c1-15(2)10-17(8-7-16(15)3)14(19)12-6-5-11(20-4)9-13(12)18/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyZSAVRQFAUBQUDW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds2

About (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 63619887) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID63619887
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C(C)(C)C2)c(O)c1
InChIInChI=1S/C15H22N2O3/c1-15(2)10-17(8-7-16(15)3)14(19)12-6-5-11(20-4)9-13(12)18/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyZSAVRQFAUBQUDW-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107952423
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107703961
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374
N'-hydroxy-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboximidamide
CID 77038522

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 63619887) is (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(C)C(C)(C)C2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is ZSAVRQFAUBQUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)10-17(8-7-16(15)3)14(19)12-6-5-11(20-4)9-13(12)18/h5-6,9,18H,7-8,10H2,1-4H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63619887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).