[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone

C24H31NO3 — CID 70762380

IUPAC[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
SMILESCOCC[C@]1(O)CCN(C(=O)c2ccccc2Cc2ccc(C)cc2)C[C@H]1C
InChIInChI=1S/C24H31NO3/c1-18-8-10-20(11-9-18)16-21-6-4-5-7-22(21)23(26)25-14-12-24(27,13-15-28-3)19(2)17-25/h4-11,19,27H,12-17H2,1-3H3/t19-,24-/m1/s1
InChIKeyXRWMGLLDMPXYJK-NTKDMRAZSA-N
MW381.52 g/mol
LogP3.84
Rot. Bonds6

About [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone

[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone (PubChem CID 70762380) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
PubChem CID70762380
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
SMILESCOCC[C@]1(O)CCN(C(=O)c2ccccc2Cc2ccc(C)cc2)C[C@H]1C
InChIInChI=1S/C24H31NO3/c1-18-8-10-20(11-9-18)16-21-6-4-5-7-22(21)23(26)25-14-12-24(27,13-15-28-3)19(2)17-25/h4-11,19,27H,12-17H2,1-3H3/t19-,24-/m1/s1
InChIKeyXRWMGLLDMPXYJK-NTKDMRAZSA-N
XLogP3.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone with MolForge

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Related Compounds

(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 72913982
N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 156605068
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 90648190
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72859934
[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone
CID 91779287
[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 133127608
[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
CID 133111598
(3aR,7aS)-5-methyl-2-[2-[(4-methylphenyl)methyl]benzoyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138382847
[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 154820760
[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 156603570
4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 72876061
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone (CID 70762380) is [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone is COCC[C@]1(O)CCN(C(=O)c2ccccc2Cc2ccc(C)cc2)C[C@H]1C.
What is the InChIKey of [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone?
The InChIKey is XRWMGLLDMPXYJK-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H31NO3/c1-18-8-10-20(11-9-18)16-21-6-4-5-7-22(21)23(26)25-14-12-24(27,13-15-28-3)19(2)17-25/h4-11,19,27H,12-17H2,1-3H3/t19-,24-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone?
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone is sourced from PubChem (CID 70762380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).