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

C11H22N2O — CID 43167824

IUPAC4-(2-pyrrolidin-1-ylethoxy)piperidine
SMILESC1CCN(CCOC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c1-2-8-13(7-1)9-10-14-11-3-5-12-6-4-11/h11-12H,1-10H2
InChIKeyIMQRZUQNVVBHHS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

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

4-(2-pyrrolidin-1-ylethoxy)piperidine (PubChem CID 43167824) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxy)piperidine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxy)piperidine
PubChem CID43167824
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(2-pyrrolidin-1-ylethoxy)piperidine
SMILESC1CCN(CCOC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c1-2-8-13(7-1)9-10-14-11-3-5-12-6-4-11/h11-12H,1-10H2
InChIKeyIMQRZUQNVVBHHS-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 4-(2-pyrrolidin-1-ylethoxy)piperidine?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)piperidine (CID 43167824) is 4-(2-pyrrolidin-1-ylethoxy)piperidine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxy)piperidine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxy)piperidine is C1CCN(CCOC2CCNCC2)C1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxy)piperidine?
The InChIKey is IMQRZUQNVVBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-8-13(7-1)9-10-14-11-3-5-12-6-4-11/h11-12H,1-10H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethoxy)piperidine?
4-(2-pyrrolidin-1-ylethoxy)piperidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxy)piperidine is sourced from PubChem (CID 43167824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).