(1-amino-1-fluoroethyl) piperidine-1-carboxylate

C8H15FN2O2 — CID 156636522

IUPAC(1-amino-1-fluoroethyl) piperidine-1-carboxylate
SMILESCC(N)(F)OC(=O)N1CCCCC1
InChIInChI=1S/C8H15FN2O2/c1-8(9,10)13-7(12)11-5-3-2-4-6-11/h2-6,10H2,1H3
InChIKeyVYLIXRJHFUNABH-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.21
Rot. Bonds1

About (1-amino-1-fluoroethyl) piperidine-1-carboxylate

(1-amino-1-fluoroethyl) piperidine-1-carboxylate (PubChem CID 156636522) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (1-amino-1-fluoroethyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-amino-1-fluoroethyl) piperidine-1-carboxylate
PubChem CID156636522
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(1-amino-1-fluoroethyl) piperidine-1-carboxylate
SMILESCC(N)(F)OC(=O)N1CCCCC1
InChIInChI=1S/C8H15FN2O2/c1-8(9,10)13-7(12)11-5-3-2-4-6-11/h2-6,10H2,1H3
InChIKeyVYLIXRJHFUNABH-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (1-amino-1-fluoroethyl) piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
CID 170530123
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
(1-cyano-1-hydroxyethyl) piperidine-1-carboxylate
CID 156636524
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
[(2-methylpropan-2-yl)oxycarbonylamino] azepane-1-carboxylate
CID 175316788

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-fluoroethyl) piperidine-1-carboxylate?
The IUPAC name of (1-amino-1-fluoroethyl) piperidine-1-carboxylate (CID 156636522) is (1-amino-1-fluoroethyl) piperidine-1-carboxylate.
What is the SMILES notation for (1-amino-1-fluoroethyl) piperidine-1-carboxylate?
The canonical SMILES for (1-amino-1-fluoroethyl) piperidine-1-carboxylate is CC(N)(F)OC(=O)N1CCCCC1.
What is the InChIKey of (1-amino-1-fluoroethyl) piperidine-1-carboxylate?
The InChIKey is VYLIXRJHFUNABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-8(9,10)13-7(12)11-5-3-2-4-6-11/h2-6,10H2,1H3.
What are the key properties of (1-amino-1-fluoroethyl) piperidine-1-carboxylate?
(1-amino-1-fluoroethyl) piperidine-1-carboxylate has a molecular weight of 190.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-fluoroethyl) piperidine-1-carboxylate is sourced from PubChem (CID 156636522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).