(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone

C14H20N2O2 — CID 116919686

IUPAC(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CNCCN1C
InChIInChI=1S/C14H20N2O2/c1-10-4-5-13(18-3)11(8-10)14(17)12-9-15-6-7-16(12)2/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyPGAFBIJXXNZQPZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone (PubChem CID 116919686) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
PubChem CID116919686
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CNCCN1C
InChIInChI=1S/C14H20N2O2/c1-10-4-5-13(18-3)11(8-10)14(17)12-9-15-6-7-16(12)2/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyPGAFBIJXXNZQPZ-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
(2-methoxy-5-methylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919795
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177796
(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919681
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 66212578
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone (CID 116919686) is (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone is COc1ccc(C)cc1C(=O)C1CNCCN1C.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The InChIKey is PGAFBIJXXNZQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-5-13(18-3)11(8-10)14(17)12-9-15-6-7-16(12)2/h4-5,8,12,15H,6-7,9H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 116919686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).