(3R,4S)-3-fluoro-1-methylpiperidin-4-amine

C6H13FN2 — CID 58398055

IUPAC(3R,4S)-3-fluoro-1-methylpiperidin-4-amine
SMILESCN1CC[C@H](N)[C@H](F)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyFIWBAIBSPICWNU-RITPCOANSA-N
MW132.18 g/mol
LogP-0.01
Rot. Bonds

About (3R,4S)-3-fluoro-1-methylpiperidin-4-amine

(3R,4S)-3-fluoro-1-methylpiperidin-4-amine (PubChem CID 58398055) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-methylpiperidin-4-amine
PubChem CID58398055
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3R,4S)-3-fluoro-1-methylpiperidin-4-amine
SMILESCN1CC[C@H](N)[C@H](F)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyFIWBAIBSPICWNU-RITPCOANSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-methylpiperidin-4-amine?
The IUPAC name of (3R,4S)-3-fluoro-1-methylpiperidin-4-amine (CID 58398055) is (3R,4S)-3-fluoro-1-methylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-methylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-3-fluoro-1-methylpiperidin-4-amine is CN1CC[C@H](N)[C@H](F)C1.
What is the InChIKey of (3R,4S)-3-fluoro-1-methylpiperidin-4-amine?
The InChIKey is FIWBAIBSPICWNU-RITPCOANSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-methylpiperidin-4-amine?
(3R,4S)-3-fluoro-1-methylpiperidin-4-amine has a molecular weight of 132.18 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-methylpiperidin-4-amine is sourced from PubChem (CID 58398055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).