O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine

C6H13FN2O — CID 139498103

IUPACO-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine
SMILESCN1CC[C@H](ON)C(F)C1
InChIInChI=1S/C6H13FN2O/c1-9-3-2-6(10-8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1
InChIKeyMTMXZADKQATOGZ-GDVGLLTNSA-N
MW148.18 g/mol
LogP-0.08
Rot. Bonds1

About O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine

O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine (PubChem CID 139498103) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine
PubChem CID139498103
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC NameO-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine
SMILESCN1CC[C@H](ON)C(F)C1
InChIInChI=1S/C6H13FN2O/c1-9-3-2-6(10-8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1
InChIKeyMTMXZADKQATOGZ-GDVGLLTNSA-N
XLogP-0.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine?
The IUPAC name of O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine (CID 139498103) is O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine.
What is the SMILES notation for O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine?
The canonical SMILES for O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine is CN1CC[C@H](ON)C(F)C1.
What is the InChIKey of O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine?
The InChIKey is MTMXZADKQATOGZ-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-9-3-2-6(10-8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1.
What are the key properties of O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine?
O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine has a molecular weight of 148.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4S)-3-fluoro-1-methylpiperidin-4-yl]hydroxylamine is sourced from PubChem (CID 139498103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).