2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

C11H22N2O — CID 23190312

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CCN(CC2CCCCN2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-5-7-13(9-11)8-10-4-2-3-6-12-10/h10-12H,2-9H2,1H3
InChIKeyFDJSEMPQOUIRQI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

About 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (PubChem CID 23190312) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
PubChem CID23190312
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CCN(CC2CCCCN2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-5-7-13(9-11)8-10-4-2-3-6-12-10/h10-12H,2-9H2,1H3
InChIKeyFDJSEMPQOUIRQI-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (CID 23190312) is 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is COC1CCN(CC2CCCCN2)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The InChIKey is FDJSEMPQOUIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-11-5-7-13(9-11)8-10-4-2-3-6-12-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 23190312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).