(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine

C13H18FNO — CID 169114547

IUPAC(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine
SMILESCOC1C[C@H](c2ccc(F)cc2)NC[C@H]1C
InChIInChI=1S/C13H18FNO/c1-9-8-15-12(7-13(9)16-2)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3/t9-,12-,13?/m1/s1
InChIKeyXSYOUULVLUJGFX-PDFXSYEUSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds2

About (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine

(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine (PubChem CID 169114547) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine
PubChem CID169114547
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine
SMILESCOC1C[C@H](c2ccc(F)cc2)NC[C@H]1C
InChIInChI=1S/C13H18FNO/c1-9-8-15-12(7-13(9)16-2)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3/t9-,12-,13?/m1/s1
InChIKeyXSYOUULVLUJGFX-PDFXSYEUSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine?
The IUPAC name of (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine (CID 169114547) is (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine.
What is the SMILES notation for (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine?
The canonical SMILES for (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine is COC1C[C@H](c2ccc(F)cc2)NC[C@H]1C.
What is the InChIKey of (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine?
The InChIKey is XSYOUULVLUJGFX-PDFXSYEUSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-15-12(7-13(9)16-2)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3/t9-,12-,13?/m1/s1.
What are the key properties of (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine?
(2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine is sourced from PubChem (CID 169114547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).