3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine

C18H31N3 — CID 63619903

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCCC1CN(CC(C)(CNC)c2ccccc2)CCN1C
InChIInChI=1S/C18H31N3/c1-5-17-13-21(12-11-20(17)4)15-18(2,14-19-3)16-9-7-6-8-10-16/h6-10,17,19H,5,11-15H2,1-4H3
InChIKeyHYBJXWSHWVGYRR-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.19
Rot. Bonds6

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine

3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 63619903) 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,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID63619903
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCCC1CN(CC(C)(CNC)c2ccccc2)CCN1C
InChIInChI=1S/C18H31N3/c1-5-17-13-21(12-11-20(17)4)15-18(2,14-19-3)16-9-7-6-8-10-16/h6-10,17,19H,5,11-15H2,1-4H3
InChIKeyHYBJXWSHWVGYRR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 55051514
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
4-[1-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-2-yl]aniline
CID 80556451
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
N,2-dimethyl-2-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 55056359
1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
CID 116695850
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65282057
N-ethyl-3-(3-ethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62258575
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65324595
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 63619903) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine is CCC1CN(CC(C)(CNC)c2ccccc2)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is HYBJXWSHWVGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-17-13-21(12-11-20(17)4)15-18(2,14-19-3)16-9-7-6-8-10-16/h6-10,17,19H,5,11-15H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.19, 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,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 63619903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).