tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate

C11H21FN2O2 — CID 138393467

IUPACtert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCNCC1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)7-14-9-4-5-13-6-8(9)12/h8-9,13-14H,4-7H2,1-3H3
InChIKeyRTVLIOZOZITFSG-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.62
Rot. Bonds3

About tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate

tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate (PubChem CID 138393467) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate
PubChem CID138393467
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCNCC1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)7-14-9-4-5-13-6-8(9)12/h8-9,13-14H,4-7H2,1-3H3
InChIKeyRTVLIOZOZITFSG-UHFFFAOYSA-N
XLogP0.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate (CID 138393467) is tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate is CC(C)(C)OC(=O)CNC1CCNCC1F.
What is the InChIKey of tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate?
The InChIKey is RTVLIOZOZITFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)7-14-9-4-5-13-6-8(9)12/h8-9,13-14H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate?
tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate has a molecular weight of 232.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-fluoropiperidin-4-yl)amino]acetate is sourced from PubChem (CID 138393467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).