[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C32H31NO4 — CID 11191105

IUPAC[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCN1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C32H31NO4/c1-2-33-22-21-32(35,25-15-19-29(20-16-25)37-27-11-7-4-8-12-27)30(23-33)31(34)24-13-17-28(18-14-24)36-26-9-5-3-6-10-26/h3-20,30,35H,2,21-23H2,1H3/t30-,32+/m0/s1
InChIKeyVZAAVPMTYOEAIJ-XDFJSJKPSA-N
MW493.60 g/mol
LogP6.68
Rot. Bonds8

About [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 11191105) has the molecular formula C32H31NO4 and a molecular weight of 493.60 g/mol. Its IUPAC name is [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID11191105
Molecular FormulaC32H31NO4
Molecular Weight493.60 g/mol
Exact Mass493.23
IUPAC Name[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCN1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C32H31NO4/c1-2-33-22-21-32(35,25-15-19-29(20-16-25)37-27-11-7-4-8-12-27)30(23-33)31(34)24-13-17-28(18-14-24)36-26-9-5-3-6-10-26/h3-20,30,35H,2,21-23H2,1H3/t30-,32+/m0/s1
InChIKeyVZAAVPMTYOEAIJ-XDFJSJKPSA-N
XLogP6.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone;hydrochloride
CID 171348492
[(3S,4S)-1-ethyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
CID 6542937
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
CID 22860804
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
(4-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 6548754
(4-fluorophenyl)-[(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 7298621
[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 67913282
[(4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 135019799
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
[1-ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone iodide
CID 10529729
[(3R,4R)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 124718614
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 11191105) is [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is CCN1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is VZAAVPMTYOEAIJ-XDFJSJKPSA-N. The full InChI is InChI=1S/C32H31NO4/c1-2-33-22-21-32(35,25-15-19-29(20-16-25)37-27-11-7-4-8-12-27)30(23-33)31(34)24-13-17-28(18-14-24)36-26-9-5-3-6-10-26/h3-20,30,35H,2,21-23H2,1H3/t30-,32+/m0/s1.
What are the key properties of [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 493.60 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 11191105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).