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

C12H27N3O — CID 103152536

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
SMILESCCN1CCN(CCC(CN)OC)CC1C
InChIInChI=1S/C12H27N3O/c1-4-15-8-7-14(10-11(15)2)6-5-12(9-13)16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyDEZSVTYGQOBJCB-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds6

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

4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine (PubChem CID 103152536) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
PubChem CID103152536
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
SMILESCCN1CCN(CCC(CN)OC)CC1C
InChIInChI=1S/C12H27N3O/c1-4-15-8-7-14(10-11(15)2)6-5-12(9-13)16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyDEZSVTYGQOBJCB-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

2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
CID 63604012
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
CID 103152569
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
CID 103152801
2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 103152498
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 77000710
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine (CID 103152536) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine is CCN1CCN(CCC(CN)OC)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine?
The InChIKey is DEZSVTYGQOBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-15-8-7-14(10-11(15)2)6-5-12(9-13)16-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine?
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-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 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103152536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).