tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate

C14H25FN2O2 — CID 58804095

IUPACtert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
SMILESCN(C)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-8-6-11(7-9-17)12(15)10-16(4)5/h6-10H2,1-5H3
InChIKeyKGHINJVZEULCTK-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate

tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate (PubChem CID 58804095) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
PubChem CID58804095
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Nametert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
SMILESCN(C)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-8-6-11(7-9-17)12(15)10-16(4)5/h6-10H2,1-5H3
InChIKeyKGHINJVZEULCTK-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate (CID 58804095) is tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate is CN(C)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The InChIKey is KGHINJVZEULCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-8-6-11(7-9-17)12(15)10-16(4)5/h6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate has a molecular weight of 272.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dimethylamino)-1-fluoroethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 58804095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).