3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol

C22H26N2O2 — CID 91156516

IUPAC3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
SMILESCOc1cccc(C2(O)CCCN(Cc3c[nH]c4ccc(C)cc34)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-7-8-21-20(11-16)17(13-23-21)14-24-10-4-9-22(25,15-24)18-5-3-6-19(12-18)26-2/h3,5-8,11-13,23,25H,4,9-10,14-15H2,1-2H3
InChIKeyAPPIMDMAHZVXEZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.97
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol

3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol (PubChem CID 91156516) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
PubChem CID91156516
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
SMILESCOc1cccc(C2(O)CCCN(Cc3c[nH]c4ccc(C)cc34)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-7-8-21-20(11-16)17(13-23-21)14-24-10-4-9-22(25,15-24)18-5-3-6-19(12-18)26-2/h3,5-8,11-13,23,25H,4,9-10,14-15H2,1-2H3
InChIKeyAPPIMDMAHZVXEZ-UHFFFAOYSA-N
XLogP3.97
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
CID 91429341
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
ethyl 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-1H-indole-2-carboxylate
CID 10160604
3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
CID 171676178
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone
CID 172890602
2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-9-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 19435582
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol (CID 91156516) is 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol is COc1cccc(C2(O)CCCN(Cc3c[nH]c4ccc(C)cc34)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol?
The InChIKey is APPIMDMAHZVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-7-8-21-20(11-16)17(13-23-21)14-24-10-4-9-22(25,15-24)18-5-3-6-19(12-18)26-2/h3,5-8,11-13,23,25H,4,9-10,14-15H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol?
3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol has a molecular weight of 350.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 91156516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).