1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

C28H33NO2 — CID 23606947

IUPAC1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)(c2cccc(C)c2)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C28H33NO2/c1-22-10-9-13-25(20-22)28(30,24-14-16-26(31-2)17-15-24)27(23-11-5-3-6-12-23)21-29-18-7-4-8-19-29/h3,5-6,9-17,20,27,30H,4,7-8,18-19,21H2,1-2H3
InChIKeyMMTLGSHAAYMWPI-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.51
Rot. Bonds7

About 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 23606947) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID23606947
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)(c2cccc(C)c2)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C28H33NO2/c1-22-10-9-13-25(20-22)28(30,24-14-16-26(31-2)17-15-24)27(23-11-5-3-6-12-23)21-29-18-7-4-8-19-29/h3,5-6,9-17,20,27,30H,4,7-8,18-19,21H2,1-2H3
InChIKeyMMTLGSHAAYMWPI-UHFFFAOYSA-N
XLogP5.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-3-(azepan-1-yl)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol
CID 40965480
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol (CID 23606947) is 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol is COc1ccc(C(O)(c2cccc(C)c2)C(CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is MMTLGSHAAYMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-22-10-9-13-25(20-22)28(30,24-14-16-26(31-2)17-15-24)27(23-11-5-3-6-12-23)21-29-18-7-4-8-19-29/h3,5-6,9-17,20,27,30H,4,7-8,18-19,21H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 415.58 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 23606947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).