(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one

C21H24FNO2 — CID 67104500

IUPAC(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@](CCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m0/s1
InChIKeyVDKDYUQLOATTCE-HRAATJIYSA-N
MW341.43 g/mol
LogP3.83
Rot. Bonds5

About (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one

(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one (PubChem CID 67104500) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
PubChem CID67104500
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@](CCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m0/s1
InChIKeyVDKDYUQLOATTCE-HRAATJIYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one (CID 67104500) is (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one is C[C@@H](c1ccccc1)N1CC[C@](CCO)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one?
The InChIKey is VDKDYUQLOATTCE-HRAATJIYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m0/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one?
(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 67104500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).