(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol

C28H33NO3 — CID 7112352

IUPAC(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
SMILESCOc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C28H33NO3/c1-19-26(22-10-14-24(31-3)15-11-22)29-27(23-12-16-25(32-4)17-13-23)20(2)28(19,30)18-21-8-6-5-7-9-21/h5-17,19-20,26-27,29-30H,18H2,1-4H3/t19-,20+,26-,27+,28?
InChIKeyBTUTYNXWDXRDAN-WHTOPFKPSA-N
MW431.58 g/mol
LogP5.34
Rot. Bonds6

About (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol

(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol (PubChem CID 7112352) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
PubChem CID7112352
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
SMILESCOc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C28H33NO3/c1-19-26(22-10-14-24(31-3)15-11-22)29-27(23-12-16-25(32-4)17-13-23)20(2)28(19,30)18-21-8-6-5-7-9-21/h5-17,19-20,26-27,29-30H,18H2,1-4H3/t19-,20+,26-,27+,28?
InChIKeyBTUTYNXWDXRDAN-WHTOPFKPSA-N
XLogP5.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol with MolForge

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Related Compounds

(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
CID 7243060
methyl (1S,3R,3aS,5R,6aR)-5-benzyl-1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 134954025
(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
CID 7108613
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol;hydrochloride
CID 52998404
(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
CID 134964565

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol (CID 7112352) is (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol is COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol?
The InChIKey is BTUTYNXWDXRDAN-WHTOPFKPSA-N. The full InChI is InChI=1S/C28H33NO3/c1-19-26(22-10-14-24(31-3)15-11-22)29-27(23-12-16-25(32-4)17-13-23)20(2)28(19,30)18-21-8-6-5-7-9-21/h5-17,19-20,26-27,29-30H,18H2,1-4H3/t19-,20+,26-,27+,28?.
What are the key properties of (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol?
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol has a molecular weight of 431.58 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 7112352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).