1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H27N3O2 — CID 112601749

IUPAC1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(CN)N1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14)15-5-7-16(8-6-15)12(17)10-18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyJOXQISDNOSYTAO-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds4

About 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112601749) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112601749
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(CN)N1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14)15-5-7-16(8-6-15)12(17)10-18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyJOXQISDNOSYTAO-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

1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
CID 141354092
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 63337400
1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167351986
3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
CID 112602028
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 112629807
2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
2-(1-amino-2-methylpropan-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 65053500
4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975
2-(1-amino-2-methylbutan-2-yl)oxy-1-piperidin-1-ylethanone
CID 65053458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112601749) is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(CN)N1CCN(C(=O)COC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is JOXQISDNOSYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(9-14)15-5-7-16(8-6-15)12(17)10-18-13(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone 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-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112601749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).