3,7-dimethyloctyl 2-piperidin-1-ylacetate

C17H33NO2 — CID 2858396

IUPAC3,7-dimethyloctyl 2-piperidin-1-ylacetate
SMILESCC(C)CCCC(C)CCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3
InChIKeyLWOLFMVSELLFPY-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.87
Rot. Bonds9

About 3,7-dimethyloctyl 2-piperidin-1-ylacetate

3,7-dimethyloctyl 2-piperidin-1-ylacetate (PubChem CID 2858396) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3,7-dimethyloctyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name3,7-dimethyloctyl 2-piperidin-1-ylacetate
PubChem CID2858396
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3,7-dimethyloctyl 2-piperidin-1-ylacetate
SMILESCC(C)CCCC(C)CCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3
InChIKeyLWOLFMVSELLFPY-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctyl 2-piperidin-1-ylacetate?
The IUPAC name of 3,7-dimethyloctyl 2-piperidin-1-ylacetate (CID 2858396) is 3,7-dimethyloctyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 3,7-dimethyloctyl 2-piperidin-1-ylacetate?
The canonical SMILES for 3,7-dimethyloctyl 2-piperidin-1-ylacetate is CC(C)CCCC(C)CCOC(=O)CN1CCCCC1.
What is the InChIKey of 3,7-dimethyloctyl 2-piperidin-1-ylacetate?
The InChIKey is LWOLFMVSELLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3.
What are the key properties of 3,7-dimethyloctyl 2-piperidin-1-ylacetate?
3,7-dimethyloctyl 2-piperidin-1-ylacetate has a molecular weight of 283.46 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 2858396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).