1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone

C21H25NO3 — CID 102574971

IUPAC1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2[C@@H](OCc3ccccc3)CCCN2C(C)=O)cc1
InChIInChI=1S/C21H25NO3/c1-16(23)22-14-6-9-20(25-15-17-7-4-3-5-8-17)21(22)18-10-12-19(24-2)13-11-18/h3-5,7-8,10-13,20-21H,6,9,14-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyPCDZLEUHEPZTPM-LEWJYISDSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds5

About 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone

1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone (PubChem CID 102574971) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone
PubChem CID102574971
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2[C@@H](OCc3ccccc3)CCCN2C(C)=O)cc1
InChIInChI=1S/C21H25NO3/c1-16(23)22-14-6-9-20(25-15-17-7-4-3-5-8-17)21(22)18-10-12-19(24-2)13-11-18/h3-5,7-8,10-13,20-21H,6,9,14-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyPCDZLEUHEPZTPM-LEWJYISDSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)piperidine-1-carboxylate
CID 101131554
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
benzyl (2S,3S)-2-(4-methoxyphenyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 71535204
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
2-[4-[(2-chlorobenzoyl)oxymethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22126347
tert-butyl 3-[(3,5-dimethylphenyl)methoxy]-2-phenylpiperidine-1-carboxylate
CID 19379336
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
CID 121147148
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone (CID 102574971) is 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone is COc1ccc([C@@H]2[C@@H](OCc3ccccc3)CCCN2C(C)=O)cc1.
What is the InChIKey of 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone?
The InChIKey is PCDZLEUHEPZTPM-LEWJYISDSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(23)22-14-6-9-20(25-15-17-7-4-3-5-8-17)21(22)18-10-12-19(24-2)13-11-18/h3-5,7-8,10-13,20-21H,6,9,14-15H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone?
1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 102574971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).