[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate

C12H23NO3 — CID 174685829

IUPAC[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOCC1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)11(14)16-13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3
InChIKeyYOPSUKQDKPFGRR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.85
Rot. Bonds3

About [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174685829) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174685829
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOCC1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)11(14)16-13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3
InChIKeyYOPSUKQDKPFGRR-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174685829) is [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate is COCC1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is YOPSUKQDKPFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)11(14)16-13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174685829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).