tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate

C12H23FN2O2 — CID 67241235

IUPACtert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15-7-6-10(14(4)5)9(13)8-15/h9-10H,6-8H2,1-5H3
InChIKeyRNFDGMCJRMSZBO-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate

tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate (PubChem CID 67241235) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate
PubChem CID67241235
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15-7-6-10(14(4)5)9(13)8-15/h9-10H,6-8H2,1-5H3
InChIKeyRNFDGMCJRMSZBO-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(dimethylamino)-3-fluoropiperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate (CID 67241235) is tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate is CN(C)C1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate?
The InChIKey is RNFDGMCJRMSZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15-7-6-10(14(4)5)9(13)8-15/h9-10H,6-8H2,1-5H3.
What are the key properties of tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate has a molecular weight of 246.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylamino)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 67241235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).