[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C23H31NO3 — CID 25309995

IUPAC[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H31NO3/c1-26-21-10-9-20(22(15-21)27-2)16-24-14-6-12-23(17-24,18-25)13-11-19-7-4-3-5-8-19/h3-5,7-10,15,25H,6,11-14,16-18H2,1-2H3/t23-/m0/s1
InChIKeyXWTIAWGJSMPMQN-QHCPKHFHSA-N
MW369.51 g/mol
LogP3.91
Rot. Bonds8

About [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 25309995) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID25309995
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H31NO3/c1-26-21-10-9-20(22(15-21)27-2)16-24-14-6-12-23(17-24,18-25)13-11-19-7-4-3-5-8-19/h3-5,7-10,15,25H,6,11-14,16-18H2,1-2H3/t23-/m0/s1
InChIKeyXWTIAWGJSMPMQN-QHCPKHFHSA-N
XLogP3.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25449478
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26404101
2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
CID 42288726
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
1-[(2,4-dimethoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64951779
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 25309995) is [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is COc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)c(OC)c1.
What is the InChIKey of [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is XWTIAWGJSMPMQN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31NO3/c1-26-21-10-9-20(22(15-21)27-2)16-24-14-6-12-23(17-24,18-25)13-11-19-7-4-3-5-8-19/h3-5,7-10,15,25H,6,11-14,16-18H2,1-2H3/t23-/m0/s1.
What are the key properties of [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 369.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25309995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).