1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine

C12H27N3O — CID 63621254

IUPAC1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
SMILESCCC1CN(CC(N)CCOC)CCN1C
InChIInChI=1S/C12H27N3O/c1-4-12-10-15(7-6-14(12)2)9-11(13)5-8-16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyORWLWJAXFADZNQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds6

About 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine

1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine (PubChem CID 63621254) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
PubChem CID63621254
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
SMILESCCC1CN(CC(N)CCOC)CCN1C
InChIInChI=1S/C12H27N3O/c1-4-12-10-15(7-6-14(12)2)9-11(13)5-8-16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyORWLWJAXFADZNQ-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 62477150
1-(4,4-diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 83220245
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 62476795
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
CID 104959201
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393
1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
CID 104746281
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 63611052

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine (CID 63621254) is 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine is CCC1CN(CC(N)CCOC)CCN1C.
What is the InChIKey of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine?
The InChIKey is ORWLWJAXFADZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-12-10-15(7-6-14(12)2)9-11(13)5-8-16-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine?
1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 63621254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).