3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine

C18H31N3 — CID 63634255

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CN(CCC(NC)c2ccc(C)cc2)CCN1C
InChIInChI=1S/C18H31N3/c1-5-17-14-21(13-12-20(17)4)11-10-18(19-3)16-8-6-15(2)7-9-16/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyLAYYOOPAZGZDJQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds6

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine

3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 63634255) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
PubChem CID63634255
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CN(CCC(NC)c2ccc(C)cc2)CCN1C
InChIInChI=1S/C18H31N3/c1-5-17-14-21(13-12-20(17)4)11-10-18(19-3)16-8-6-15(2)7-9-16/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyLAYYOOPAZGZDJQ-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 63611052
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107459390
(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine
CID 90267961
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine (CID 63634255) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine is CCC1CN(CCC(NC)c2ccc(C)cc2)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is LAYYOOPAZGZDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-17-14-21(13-12-20(17)4)11-10-18(19-3)16-8-6-15(2)7-9-16/h6-9,17-19H,5,10-14H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 63634255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).