tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate

C15H27FN2O2 — CID 59342450

IUPACtert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
SMILESCC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3
InChIKeyAKHBWRKLQXHBKM-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate

tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate (PubChem CID 59342450) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
PubChem CID59342450
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Nametert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
SMILESCC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3
InChIKeyAKHBWRKLQXHBKM-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate (CID 59342450) is tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate is CC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The InChIKey is AKHBWRKLQXHBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate has a molecular weight of 286.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 59342450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).