4-(2-pyrrolidin-1-ylethoxymethyl)piperidine

C12H24N2O — CID 62338872

IUPAC4-(2-pyrrolidin-1-ylethoxymethyl)piperidine
SMILESC1CCN(CCOCC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-8-14(7-1)9-10-15-11-12-3-5-13-6-4-12/h12-13H,1-11H2
InChIKeyYLDJMNFQDUEVHZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine

4-(2-pyrrolidin-1-ylethoxymethyl)piperidine (PubChem CID 62338872) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxymethyl)piperidine
PubChem CID62338872
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(2-pyrrolidin-1-ylethoxymethyl)piperidine
SMILESC1CCN(CCOCC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-8-14(7-1)9-10-15-11-12-3-5-13-6-4-12/h12-13H,1-11H2
InChIKeyYLDJMNFQDUEVHZ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine (CID 62338872) is 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine is C1CCN(CCOCC2CCNCC2)C1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
The InChIKey is YLDJMNFQDUEVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-8-14(7-1)9-10-15-11-12-3-5-13-6-4-12/h12-13H,1-11H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine?
4-(2-pyrrolidin-1-ylethoxymethyl)piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxymethyl)piperidine is sourced from PubChem (CID 62338872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).