2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate

C10H19FN2O2 — CID 129199270

IUPAC2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)[C@H]1CCCN(C(=O)OCCF)C1
InChIInChI=1S/C10H19FN2O2/c1-12(2)9-4-3-6-13(8-9)10(14)15-7-5-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJDACOOCOEOERRP-VIFPVBQESA-N
MW218.27 g/mol
LogP1.12
Rot. Bonds3

About 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate

2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate (PubChem CID 129199270) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate
PubChem CID129199270
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)[C@H]1CCCN(C(=O)OCCF)C1
InChIInChI=1S/C10H19FN2O2/c1-12(2)9-4-3-6-13(8-9)10(14)15-7-5-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJDACOOCOEOERRP-VIFPVBQESA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate (CID 129199270) is 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate is CN(C)[C@H]1CCCN(C(=O)OCCF)C1.
What is the InChIKey of 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is JDACOOCOEOERRP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-12(2)9-4-3-6-13(8-9)10(14)15-7-5-11/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate?
2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 129199270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).