1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine

C13H26N2O — CID 3063349

IUPAC1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine
SMILESCN1CCCCC1COCCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-14-7-3-2-6-13(14)12-16-11-10-15-8-4-5-9-15/h13H,2-12H2,1H3
InChIKeyMVYUTAFREVUTMK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.58
Rot. Bonds5

About 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine

1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine (PubChem CID 3063349) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine
PubChem CID3063349
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine
SMILESCN1CCCCC1COCCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-14-7-3-2-6-13(14)12-16-11-10-15-8-4-5-9-15/h13H,2-12H2,1H3
InChIKeyMVYUTAFREVUTMK-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The IUPAC name of 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine (CID 3063349) is 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The canonical SMILES for 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine is CN1CCCCC1COCCN1CCCC1.
What is the InChIKey of 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The InChIKey is MVYUTAFREVUTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-7-3-2-6-13(14)12-16-11-10-15-8-4-5-9-15/h13H,2-12H2,1H3.
What are the key properties of 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine is sourced from PubChem (CID 3063349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).