bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol

C24H33NO3 — CID 102508076

IUPACbis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
SMILESCOc1c(C)cc(C(O)(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCCN2)cc1C
InChIInChI=1S/C24H33NO3/c1-15-11-19(12-16(2)22(15)27-5)24(26,21-9-7-8-10-25-21)20-13-17(3)23(28-6)18(4)14-20/h11-14,21,25-26H,7-10H2,1-6H3/t21-/m0/s1
InChIKeyAOYHQMPNETWNPX-NRFANRHFSA-N
MW383.53 g/mol
LogP4.32
Rot. Bonds5

About bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol

bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol (PubChem CID 102508076) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Namebis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
PubChem CID102508076
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Namebis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
SMILESCOc1c(C)cc(C(O)(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCCN2)cc1C
InChIInChI=1S/C24H33NO3/c1-15-11-19(12-16(2)22(15)27-5)24(26,21-9-7-8-10-25-21)20-13-17(3)23(28-6)18(4)14-20/h11-14,21,25-26H,7-10H2,1-6H3/t21-/m0/s1
InChIKeyAOYHQMPNETWNPX-NRFANRHFSA-N
XLogP4.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
CID 59628696
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 59628921
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol?
The IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol (CID 102508076) is bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol is COc1c(C)cc(C(O)(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCCN2)cc1C.
What is the InChIKey of bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol?
The InChIKey is AOYHQMPNETWNPX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33NO3/c1-15-11-19(12-16(2)22(15)27-5)24(26,21-9-7-8-10-25-21)20-13-17(3)23(28-6)18(4)14-20/h11-14,21,25-26H,7-10H2,1-6H3/t21-/m0/s1.
What are the key properties of bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol?
bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol has a molecular weight of 383.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 102508076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).