2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine

C17H29N3O — CID 63611052

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCCC1CN(CC(NC)c2cccc(OC)c2)CCN1C
InChIInChI=1S/C17H29N3O/c1-5-15-12-20(10-9-19(15)3)13-17(18-2)14-7-6-8-16(11-14)21-4/h6-8,11,15,17-18H,5,9-10,12-13H2,1-4H3
InChIKeyWPFDLRDHRRBPGC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 63611052) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID63611052
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCCC1CN(CC(NC)c2cccc(OC)c2)CCN1C
InChIInChI=1S/C17H29N3O/c1-5-15-12-20(10-9-19(15)3)13-17(18-2)14-7-6-8-16(11-14)21-4/h6-8,11,15,17-18H,5,9-10,12-13H2,1-4H3
InChIKeyWPFDLRDHRRBPGC-UHFFFAOYSA-N
XLogP1.98
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
1-[(1S)-2-[(3R)-3-ethyl-4-methylpiperazin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853712
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 63611052) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine is CCC1CN(CC(NC)c2cccc(OC)c2)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is WPFDLRDHRRBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-12-20(10-9-19(15)3)13-17(18-2)14-7-6-8-16(11-14)21-4/h6-8,11,15,17-18H,5,9-10,12-13H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 63611052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).