4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid

C8H15FN2O2 — CID 89384590

IUPAC4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid
SMILESNCC(F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15FN2O2/c9-7(5-10)6-1-3-11(4-2-6)8(12)13/h6-7H,1-5,10H2,(H,12,13)
InChIKeyPGOGQDSXINDSOX-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.67
Rot. Bonds2

About 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid

4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid (PubChem CID 89384590) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid
PubChem CID89384590
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid
SMILESNCC(F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15FN2O2/c9-7(5-10)6-1-3-11(4-2-6)8(12)13/h6-7H,1-5,10H2,(H,12,13)
InChIKeyPGOGQDSXINDSOX-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid (CID 89384590) is 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid is NCC(F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid?
The InChIKey is PGOGQDSXINDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-7(5-10)6-1-3-11(4-2-6)8(12)13/h6-7H,1-5,10H2,(H,12,13).
What are the key properties of 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid?
4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid has a molecular weight of 190.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 89384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).