(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one

C22H25NO2 — CID 124620194

IUPAC(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one
SMILESC=CC[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-2-9-20(18-10-5-3-6-11-18)21(24)23-16-14-22(25,15-17-23)19-12-7-4-8-13-19/h2-8,10-13,20,25H,1,9,14-17H2/t20-/m0/s1
InChIKeyBEAAWGPEEHMTKP-FQEVSTJZSA-N
MW335.45 g/mol
LogP3.86
Rot. Bonds5

About (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one

(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one (PubChem CID 124620194) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one
PubChem CID124620194
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one
SMILESC=CC[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-2-9-20(18-10-5-3-6-11-18)21(24)23-16-14-22(25,15-17-23)19-12-7-4-8-13-19/h2-8,10-13,20,25H,1,9,14-17H2/t20-/m0/s1
InChIKeyBEAAWGPEEHMTKP-FQEVSTJZSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one?
The IUPAC name of (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one (CID 124620194) is (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one.
What is the SMILES notation for (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one?
The canonical SMILES for (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one is C=CC[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one?
The InChIKey is BEAAWGPEEHMTKP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-9-20(18-10-5-3-6-11-18)21(24)23-16-14-22(25,15-17-23)19-12-7-4-8-13-19/h2-8,10-13,20,25H,1,9,14-17H2/t20-/m0/s1.
What are the key properties of (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one?
(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one is sourced from PubChem (CID 124620194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).