(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride

C5H10ClFN2O — CID 167722894

IUPAC(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride
SMILESCl.N[C@H]1C[C@H](F)CNC1=O
InChIInChI=1S/C5H9FN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h3-4H,1-2,7H2,(H,8,9);1H/t3-,4-;/m0./s1
InChIKeyTUEHLAMFAJDLMT-MMALYQPHSA-N
MW168.60 g/mol
LogP-0.41
Rot. Bonds

About (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride

(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride (PubChem CID 167722894) has the molecular formula C5H10ClFN2O and a molecular weight of 168.60 g/mol. Its IUPAC name is (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride
PubChem CID167722894
Molecular FormulaC5H10ClFN2O
Molecular Weight168.60 g/mol
Exact Mass168.05
IUPAC Name(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride
SMILESCl.N[C@H]1C[C@H](F)CNC1=O
InChIInChI=1S/C5H9FN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h3-4H,1-2,7H2,(H,8,9);1H/t3-,4-;/m0./s1
InChIKeyTUEHLAMFAJDLMT-MMALYQPHSA-N
XLogP-0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride?
The IUPAC name of (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride (CID 167722894) is (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride.
What is the SMILES notation for (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride?
The canonical SMILES for (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride is Cl.N[C@H]1C[C@H](F)CNC1=O.
What is the InChIKey of (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride?
The InChIKey is TUEHLAMFAJDLMT-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9FN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h3-4H,1-2,7H2,(H,8,9);1H/t3-,4-;/m0./s1.
What are the key properties of (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride?
(3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride has a molecular weight of 168.60 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-amino-5-fluoropiperidin-2-one;hydrochloride is sourced from PubChem (CID 167722894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).