2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine

C12H24N2O — CID 107912759

IUPAC2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine
SMILESCC1NCCCC1OCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11-12(5-4-6-13-11)15-10-9-14-7-2-3-8-14/h11-13H,2-10H2,1H3
InChIKeyPGYPSADEFNJSEV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine

2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine (PubChem CID 107912759) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine.

Molecular Properties

Compound Name2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine
PubChem CID107912759
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine
SMILESCC1NCCCC1OCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11-12(5-4-6-13-11)15-10-9-14-7-2-3-8-14/h11-13H,2-10H2,1H3
InChIKeyPGYPSADEFNJSEV-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine?
The IUPAC name of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine (CID 107912759) is 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine.
What is the SMILES notation for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine?
The canonical SMILES for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine is CC1NCCCC1OCCN1CCCC1.
What is the InChIKey of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine?
The InChIKey is PGYPSADEFNJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-12(5-4-6-13-11)15-10-9-14-7-2-3-8-14/h11-13H,2-10H2,1H3.
What are the key properties of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine?
2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine is sourced from PubChem (CID 107912759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).