1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one

C13H27N3O2 — CID 103017482

IUPAC1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-12(2,10-14)16-8-6-15(7-9-16)11(17)13(3,4)18-5/h6-10,14H2,1-5H3
InChIKeyVUUYYNSZHDLPGD-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds4

About 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 103017482) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID103017482
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-12(2,10-14)16-8-6-15(7-9-16)11(17)13(3,4)18-5/h6-10,14H2,1-5H3
InChIKeyVUUYYNSZHDLPGD-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103022562
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205473
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174639
4-(1-amino-2-methylpropan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658140
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 63343509

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 103017482) is 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is VUUYYNSZHDLPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,10-14)16-8-6-15(7-9-16)11(17)13(3,4)18-5/h6-10,14H2,1-5H3.
What are the key properties of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 257.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103017482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).