1-methoxy-2-propylpiperidin-4-one

C9H17NO2 — CID 70593552

IUPAC1-methoxy-2-propylpiperidin-4-one
SMILESCCCC1CC(=O)CCN1OC
InChIInChI=1S/C9H17NO2/c1-3-4-8-7-9(11)5-6-10(8)12-2/h8H,3-7H2,1-2H3
InChIKeyKYXLRBVTAGXKKH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds3

About 1-methoxy-2-propylpiperidin-4-one

1-methoxy-2-propylpiperidin-4-one (PubChem CID 70593552) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methoxy-2-propylpiperidin-4-one.

Molecular Properties

Compound Name1-methoxy-2-propylpiperidin-4-one
PubChem CID70593552
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-methoxy-2-propylpiperidin-4-one
SMILESCCCC1CC(=O)CCN1OC
InChIInChI=1S/C9H17NO2/c1-3-4-8-7-9(11)5-6-10(8)12-2/h8H,3-7H2,1-2H3
InChIKeyKYXLRBVTAGXKKH-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-propylpiperidin-4-one?
The IUPAC name of 1-methoxy-2-propylpiperidin-4-one (CID 70593552) is 1-methoxy-2-propylpiperidin-4-one.
What is the SMILES notation for 1-methoxy-2-propylpiperidin-4-one?
The canonical SMILES for 1-methoxy-2-propylpiperidin-4-one is CCCC1CC(=O)CCN1OC.
What is the InChIKey of 1-methoxy-2-propylpiperidin-4-one?
The InChIKey is KYXLRBVTAGXKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-8-7-9(11)5-6-10(8)12-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-2-propylpiperidin-4-one?
1-methoxy-2-propylpiperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propylpiperidin-4-one is sourced from PubChem (CID 70593552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).