1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one

C12H24N2O2 — CID 175623193

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-12(3,4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyBZGUWPCFLJVIOP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one

1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one (PubChem CID 175623193) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one
PubChem CID175623193
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-12(3,4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyBZGUWPCFLJVIOP-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one (CID 175623193) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one is CC(C)OC(C)(C)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The InChIKey is BZGUWPCFLJVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)16-12(3,4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-propan-2-yloxypropan-1-one is sourced from PubChem (CID 175623193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).