(2-methyl-6-oxopiperidin-2-yl)methyl formate

C8H13NO3 — CID 174945430

IUPAC(2-methyl-6-oxopiperidin-2-yl)methyl formate
SMILESCC1(COC=O)CCCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-8(5-12-6-10)4-2-3-7(11)9-8/h6H,2-5H2,1H3,(H,9,11)
InChIKeyCKEXYBPUQWPVRK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

About (2-methyl-6-oxopiperidin-2-yl)methyl formate

(2-methyl-6-oxopiperidin-2-yl)methyl formate (PubChem CID 174945430) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-methyl-6-oxopiperidin-2-yl)methyl formate.

Molecular Properties

Compound Name(2-methyl-6-oxopiperidin-2-yl)methyl formate
PubChem CID174945430
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2-methyl-6-oxopiperidin-2-yl)methyl formate
SMILESCC1(COC=O)CCCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-8(5-12-6-10)4-2-3-7(11)9-8/h6H,2-5H2,1H3,(H,9,11)
InChIKeyCKEXYBPUQWPVRK-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxopiperidin-2-yl)methyl formate?
The IUPAC name of (2-methyl-6-oxopiperidin-2-yl)methyl formate (CID 174945430) is (2-methyl-6-oxopiperidin-2-yl)methyl formate.
What is the SMILES notation for (2-methyl-6-oxopiperidin-2-yl)methyl formate?
The canonical SMILES for (2-methyl-6-oxopiperidin-2-yl)methyl formate is CC1(COC=O)CCCC(=O)N1.
What is the InChIKey of (2-methyl-6-oxopiperidin-2-yl)methyl formate?
The InChIKey is CKEXYBPUQWPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(5-12-6-10)4-2-3-7(11)9-8/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of (2-methyl-6-oxopiperidin-2-yl)methyl formate?
(2-methyl-6-oxopiperidin-2-yl)methyl formate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxopiperidin-2-yl)methyl formate is sourced from PubChem (CID 174945430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).