[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate

C19H34N2O4 — CID 2858601

IUPAC[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate
SMILESCC(C)(COC(=O)CN1CCCCC1)COC(=O)CN1CCCCC1
InChIInChI=1S/C19H34N2O4/c1-19(2,15-24-17(22)13-20-9-5-3-6-10-20)16-25-18(23)14-21-11-7-4-8-12-21/h3-16H2,1-2H3
InChIKeyLWHVJUAZMLPIAN-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.07
Rot. Bonds8

About [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate

[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate (PubChem CID 2858601) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate
PubChem CID2858601
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate
SMILESCC(C)(COC(=O)CN1CCCCC1)COC(=O)CN1CCCCC1
InChIInChI=1S/C19H34N2O4/c1-19(2,15-24-17(22)13-20-9-5-3-6-10-20)16-25-18(23)14-21-11-7-4-8-12-21/h3-16H2,1-2H3
InChIKeyLWHVJUAZMLPIAN-UHFFFAOYSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate?
The IUPAC name of [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate (CID 2858601) is [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate.
What is the SMILES notation for [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate?
The canonical SMILES for [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate is CC(C)(COC(=O)CN1CCCCC1)COC(=O)CN1CCCCC1.
What is the InChIKey of [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate?
The InChIKey is LWHVJUAZMLPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-19(2,15-24-17(22)13-20-9-5-3-6-10-20)16-25-18(23)14-21-11-7-4-8-12-21/h3-16H2,1-2H3.
What are the key properties of [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate?
[2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate has a molecular weight of 354.49 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-piperidin-1-ylacetyl)oxypropyl] 2-piperidin-1-ylacetate is sourced from PubChem (CID 2858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).