tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate

C15H27FN2O3 — CID 126829622

IUPACtert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
SMILESCOCCC(CN1CCC=C(F)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)17-13(7-9-20-4)11-18-8-5-6-12(16)10-18/h6,13H,5,7-11H2,1-4H3,(H,17,19)
InChIKeyJEZTYQAUQGXMCL-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.48
Rot. Bonds6

About tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate

tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate (PubChem CID 126829622) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
PubChem CID126829622
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
SMILESCOCCC(CN1CCC=C(F)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)17-13(7-9-20-4)11-18-8-5-6-12(16)10-18/h6,13H,5,7-11H2,1-4H3,(H,17,19)
InChIKeyJEZTYQAUQGXMCL-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate (CID 126829622) is tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate is COCCC(CN1CCC=C(F)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate?
The InChIKey is JEZTYQAUQGXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)17-13(7-9-20-4)11-18-8-5-6-12(16)10-18/h6,13H,5,7-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate?
tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate has a molecular weight of 302.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 126829622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).