1-(4-methoxy-4-methylpiperidin-1-yl)ethanone

C9H17NO2 — CID 70641350

IUPAC1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)10-6-4-9(2,12-3)5-7-10/h4-7H2,1-3H3
InChIKeyDSQIVWIUXJUJNP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds1

About 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone

1-(4-methoxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 70641350) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
PubChem CID70641350
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)10-6-4-9(2,12-3)5-7-10/h4-7H2,1-3H3
InChIKeyDSQIVWIUXJUJNP-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone (CID 70641350) is 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone is COC1(C)CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is DSQIVWIUXJUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)10-6-4-9(2,12-3)5-7-10/h4-7H2,1-3H3.
What are the key properties of 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone?
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 70641350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).