8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol

C22H27NO3 — CID 69431075

IUPAC8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
SMILESCOc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H27NO3/c1-25-20-10-6-16(7-11-20)13-23-14-18-8-9-19(15-23)22(18,24)17-4-3-5-21(12-17)26-2/h3-7,10-12,18-19,24H,8-9,13-15H2,1-2H3
InChIKeyHTXFAQJSUUDZHD-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.43
Rot. Bonds5

About 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol

8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 69431075) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID69431075
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
SMILESCOc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H27NO3/c1-25-20-10-6-16(7-11-20)13-23-14-18-8-9-19(15-23)22(18,24)17-4-3-5-21(12-17)26-2/h3-7,10-12,18-19,24H,8-9,13-15H2,1-2H3
InChIKeyHTXFAQJSUUDZHD-UHFFFAOYSA-N
XLogP3.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzhydryl-4-(3-methoxyphenyl)piperidin-4-ol
CID 44430018
6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 15113390
5-[3-(4-Methoxyphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
CID 54754926
1-(Bis(4-methoxyphenyl)methyl)-4-phenylpiperidin-4-ol
CID 44426844
4-(2,5-Dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
CID 45223118
2-(Azepan-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol
CID 45488345
4-(2,5-Dimethoxyphenyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
CID 45488792
1-[[4-Methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
CID 134144798
1-Benzyl-3-(3-methoxyphenyl)piperidine
CID 12937939
Cyclohexanol, 2-(N-benzyl-N-methylaminomethyl)-1-(m-methoxyphenyl)-
CID 3056579
[1-[4-(Difluoromethoxy)benzyl]-3-(3-methoxybenzyl)piperidin-3-yl]methanol
CID 23724073
[1-[(3-Methoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 14851350

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol (CID 69431075) is 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol is COc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(OC)c2)cc1.
What is the InChIKey of 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is HTXFAQJSUUDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-20-10-6-16(7-11-20)13-23-14-18-8-9-19(15-23)22(18,24)17-4-3-5-21(12-17)26-2/h3-7,10-12,18-19,24H,8-9,13-15H2,1-2H3.
What are the key properties of 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 353.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 69431075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).