3-(3,4-dimethoxypyrrolidin-1-yl)piperidine

C11H22N2O2 — CID 103533918

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
SMILESCOC1CN(C2CCCNC2)CC1OC
InChIInChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)9-4-3-5-12-6-9/h9-12H,3-8H2,1-2H3
InChIKeyODKMDEACBCWBSV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.08
Rot. Bonds3

About 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine

3-(3,4-dimethoxypyrrolidin-1-yl)piperidine (PubChem CID 103533918) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
PubChem CID103533918
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
SMILESCOC1CN(C2CCCNC2)CC1OC
InChIInChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)9-4-3-5-12-6-9/h9-12H,3-8H2,1-2H3
InChIKeyODKMDEACBCWBSV-UHFFFAOYSA-N
XLogP0.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine (CID 103533918) is 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine is COC1CN(C2CCCNC2)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine?
The InChIKey is ODKMDEACBCWBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-10-7-13(8-11(10)15-2)9-4-3-5-12-6-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine?
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine has a molecular weight of 214.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)piperidine is sourced from PubChem (CID 103533918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).