(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine

C6H11FN2O — CID 89049308

IUPAC(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine
SMILESCN1CC[C@H](N=O)[C@H](F)C1
InChIInChI=1S/C6H11FN2O/c1-9-3-2-6(8-10)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyBXNQGIGIKNNXPE-RITPCOANSA-N
MW146.16 g/mol
LogP0.80
Rot. Bonds1

About (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine

(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine (PubChem CID 89049308) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine
PubChem CID89049308
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine
SMILESCN1CC[C@H](N=O)[C@H](F)C1
InChIInChI=1S/C6H11FN2O/c1-9-3-2-6(8-10)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyBXNQGIGIKNNXPE-RITPCOANSA-N
XLogP0.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine (CID 89049308) is (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine is CN1CC[C@H](N=O)[C@H](F)C1.
What is the InChIKey of (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine?
The InChIKey is BXNQGIGIKNNXPE-RITPCOANSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-9-3-2-6(8-10)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine?
(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine has a molecular weight of 146.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine is sourced from PubChem (CID 89049308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).