4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine

C10H19FN2O — CID 158144476

IUPAC4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine
SMILESCN1CC[C@@H](N2CCOCC2)[C@@H](F)C1
InChIInChI=1S/C10H19FN2O/c1-12-3-2-10(9(11)8-12)13-4-6-14-7-5-13/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyFUIRYGQEBYAFHB-VHSXEESVSA-N
MW202.27 g/mol
LogP0.36
Rot. Bonds1

About 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine

4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine (PubChem CID 158144476) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine
PubChem CID158144476
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine
SMILESCN1CC[C@@H](N2CCOCC2)[C@@H](F)C1
InChIInChI=1S/C10H19FN2O/c1-12-3-2-10(9(11)8-12)13-4-6-14-7-5-13/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyFUIRYGQEBYAFHB-VHSXEESVSA-N
XLogP0.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine (CID 158144476) is 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine is CN1CC[C@@H](N2CCOCC2)[C@@H](F)C1.
What is the InChIKey of 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine?
The InChIKey is FUIRYGQEBYAFHB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-12-3-2-10(9(11)8-12)13-4-6-14-7-5-13/h9-10H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine?
4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine has a molecular weight of 202.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine is sourced from PubChem (CID 158144476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).