[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone

C19H20FNO2 — CID 164750542

IUPAC[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)CC1O
InChIInChI=1S/C19H20FNO2/c1-13-12-21(19(23)15-5-3-2-4-6-15)17(11-18(13)22)14-7-9-16(20)10-8-14/h2-10,13,17-18,22H,11-12H2,1H3/t13-,17-,18?/m1/s1
InChIKeyJKFXXNGLHKTIGN-WROHLXEZSA-N
MW313.37 g/mol
LogP3.41
Rot. Bonds2

About [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone

[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone (PubChem CID 164750542) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone
PubChem CID164750542
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)CC1O
InChIInChI=1S/C19H20FNO2/c1-13-12-21(19(23)15-5-3-2-4-6-15)17(11-18(13)22)14-7-9-16(20)10-8-14/h2-10,13,17-18,22H,11-12H2,1H3/t13-,17-,18?/m1/s1
InChIKeyJKFXXNGLHKTIGN-WROHLXEZSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.41
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-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone (CID 164750542) is [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)CC1O.
What is the InChIKey of [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone?
The InChIKey is JKFXXNGLHKTIGN-WROHLXEZSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-12-21(19(23)15-5-3-2-4-6-15)17(11-18(13)22)14-7-9-16(20)10-8-14/h2-10,13,17-18,22H,11-12H2,1H3/t13-,17-,18?/m1/s1.
What are the key properties of [(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone?
[(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone has a molecular weight of 313.37 g/mol, XLogP of 3.41, 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-hydroxy-5-methylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 164750542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).