tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline

C20H28N2O3 — CID 174388165

IUPACtert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline
SMILESCC(C)(C)OC=O.c1cnc2cc(COC3CCCNC3)ccc2c1
InChIInChI=1S/C15H18N2O.C5H10O2/c1-3-13-6-5-12(9-15(13)17-8-1)11-18-14-4-2-7-16-10-14;1-5(2,3)7-4-6/h1,3,5-6,8-9,14,16H,2,4,7,10-11H2;4H,1-3H3
InChIKeyWEYAYMSCZNHXJR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline

tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline (PubChem CID 174388165) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline.

Molecular Properties

Compound Nametert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline
PubChem CID174388165
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Nametert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline
SMILESCC(C)(C)OC=O.c1cnc2cc(COC3CCCNC3)ccc2c1
InChIInChI=1S/C15H18N2O.C5H10O2/c1-3-13-6-5-12(9-15(13)17-8-1)11-18-14-4-2-7-16-10-14;1-5(2,3)7-4-6/h1,3,5-6,8-9,14,16H,2,4,7,10-11H2;4H,1-3H3
InChIKeyWEYAYMSCZNHXJR-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline?
The IUPAC name of tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline (CID 174388165) is tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline.
What is the SMILES notation for tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline?
The canonical SMILES for tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline is CC(C)(C)OC=O.c1cnc2cc(COC3CCCNC3)ccc2c1.
What is the InChIKey of tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline?
The InChIKey is WEYAYMSCZNHXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C5H10O2/c1-3-13-6-5-12(9-15(13)17-8-1)11-18-14-4-2-7-16-10-14;1-5(2,3)7-4-6/h1,3,5-6,8-9,14,16H,2,4,7,10-11H2;4H,1-3H3.
What are the key properties of tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline?
tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline has a molecular weight of 344.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;7-(piperidin-3-yloxymethyl)quinoline is sourced from PubChem (CID 174388165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).