1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone

C12H24N2O2 — CID 56881213

IUPAC1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(C(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-3)11-4-6-14(7-5-11)12(15)8-13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyHIIGFOUNHUBIQS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone

1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 56881213) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID56881213
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(C(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-3)11-4-6-14(7-5-11)12(15)8-13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyHIIGFOUNHUBIQS-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone (CID 56881213) is 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(C(C)COC)CC1.
What is the InChIKey of 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is HIIGFOUNHUBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(9-16-3)11-4-6-14(7-5-11)12(15)8-13-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 56881213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).