(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone

C14H20N2O3 — CID 81428792

IUPAC(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(8-7-15-10)14(17)13-11(18-2)5-4-6-12(13)19-3/h4-6,10,15H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyPOTPGPXDZRRSDQ-JTQLQIEISA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds3

About (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428792) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID81428792
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(8-7-15-10)14(17)13-11(18-2)5-4-6-12(13)19-3/h4-6,10,15H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyPOTPGPXDZRRSDQ-JTQLQIEISA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119579172
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 119577834
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 81428792) is (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is POTPGPXDZRRSDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-16(8-7-15-10)14(17)13-11(18-2)5-4-6-12(13)19-3/h4-6,10,15H,7-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).