tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate

C15H22N2O3 — CID 68933797

IUPACtert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1COc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-4-5-12(17)11-19-13-6-8-16-9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFUHBRKWTDBRYLS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 68933797) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID68933797
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1COc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-4-5-12(17)11-19-13-6-8-16-9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFUHBRKWTDBRYLS-UHFFFAOYSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate (CID 68933797) is tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1COc1ccncc1.
What is the InChIKey of tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is FUHBRKWTDBRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-10-4-5-12(17)11-19-13-6-8-16-9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 68933797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).