4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine

C14H28N2O — CID 121202793

IUPAC4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine
SMILESCCOCC1CN(C2CCNCC2)CC1(C)C
InChIInChI=1S/C14H28N2O/c1-4-17-10-12-9-16(11-14(12,2)3)13-5-7-15-8-6-13/h12-13,15H,4-11H2,1-3H3
InChIKeyYJDJQNXOGWAWGS-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine

4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine (PubChem CID 121202793) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine
PubChem CID121202793
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine
SMILESCCOCC1CN(C2CCNCC2)CC1(C)C
InChIInChI=1S/C14H28N2O/c1-4-17-10-12-9-16(11-14(12,2)3)13-5-7-15-8-6-13/h12-13,15H,4-11H2,1-3H3
InChIKeyYJDJQNXOGWAWGS-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine (CID 121202793) is 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine is CCOCC1CN(C2CCNCC2)CC1(C)C.
What is the InChIKey of 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine?
The InChIKey is YJDJQNXOGWAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-17-10-12-9-16(11-14(12,2)3)13-5-7-15-8-6-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine?
4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]piperidine is sourced from PubChem (CID 121202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).