1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one

C12H23NO2 — CID 107507399

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
SMILESCCC1(C)CCN(CC(=O)COC)CC1
InChIInChI=1S/C12H23NO2/c1-4-12(2)5-7-13(8-6-12)9-11(14)10-15-3/h4-10H2,1-3H3
InChIKeyYARNXQCBNASMQR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one

1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one (PubChem CID 107507399) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
PubChem CID107507399
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
SMILESCCC1(C)CCN(CC(=O)COC)CC1
InChIInChI=1S/C12H23NO2/c1-4-12(2)5-7-13(8-6-12)9-11(14)10-15-3/h4-10H2,1-3H3
InChIKeyYARNXQCBNASMQR-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one (CID 107507399) is 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one is CCC1(C)CCN(CC(=O)COC)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one?
The InChIKey is YARNXQCBNASMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(2)5-7-13(8-6-12)9-11(14)10-15-3/h4-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one?
1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).