tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate

C19H23FN2O2 — CID 58064171

IUPACtert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2cccc3ncccc23)CC1
InChIInChI=1S/C19H23FN2O2/c1-18(2,3)24-17(23)22-12-9-19(20,10-13-22)15-7-4-8-16-14(15)6-5-11-21-16/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyMZQDBCNIHADEIG-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.43
Rot. Bonds1

About tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate

tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate (PubChem CID 58064171) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate
PubChem CID58064171
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Nametert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2cccc3ncccc23)CC1
InChIInChI=1S/C19H23FN2O2/c1-18(2,3)24-17(23)22-12-9-19(20,10-13-22)15-7-4-8-16-14(15)6-5-11-21-16/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyMZQDBCNIHADEIG-UHFFFAOYSA-N
XLogP4.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate (CID 58064171) is tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2cccc3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate?
The InChIKey is MZQDBCNIHADEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-18(2,3)24-17(23)22-12-9-19(20,10-13-22)15-7-4-8-16-14(15)6-5-11-21-16/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate?
tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate has a molecular weight of 330.40 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-quinolin-5-ylpiperidine-1-carboxylate is sourced from PubChem (CID 58064171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).