(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate

C10H19FN2O2 — CID 66611501

IUPAC(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate
SMILESCC(C)(CN)OC(=O)C1CCNCC1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,6-12)15-9(14)7-3-4-13-5-8(7)11/h7-8,13H,3-6,12H2,1-2H3
InChIKeyIROPRXGYOYGRGF-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.21
Rot. Bonds3

About (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate

(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate (PubChem CID 66611501) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate
PubChem CID66611501
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate
SMILESCC(C)(CN)OC(=O)C1CCNCC1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,6-12)15-9(14)7-3-4-13-5-8(7)11/h7-8,13H,3-6,12H2,1-2H3
InChIKeyIROPRXGYOYGRGF-UHFFFAOYSA-N
XLogP0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate (CID 66611501) is (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate is CC(C)(CN)OC(=O)C1CCNCC1F.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate?
The InChIKey is IROPRXGYOYGRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,6-12)15-9(14)7-3-4-13-5-8(7)11/h7-8,13H,3-6,12H2,1-2H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate?
(1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) 3-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 66611501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).