2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol

C22H26N2O2 — CID 110453411

IUPAC2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol
SMILESCOc1cccc(C(c2c(C)[nH]c3ccccc23)N2CCCCC2)c1O
InChIInChI=1S/C22H26N2O2/c1-15-20(16-9-4-5-11-18(16)23-15)21(24-13-6-3-7-14-24)17-10-8-12-19(26-2)22(17)25/h4-5,8-12,21,23,25H,3,6-7,13-14H2,1-2H3
InChIKeyBOFLFYXFXCQIRE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.77
Rot. Bonds4

About 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol

2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol (PubChem CID 110453411) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol
PubChem CID110453411
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol
SMILESCOc1cccc(C(c2c(C)[nH]c3ccccc23)N2CCCCC2)c1O
InChIInChI=1S/C22H26N2O2/c1-15-20(16-9-4-5-11-18(16)23-15)21(24-13-6-3-7-14-24)17-10-8-12-19(26-2)22(17)25/h4-5,8-12,21,23,25H,3,6-7,13-14H2,1-2H3
InChIKeyBOFLFYXFXCQIRE-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
2-[hydroxy-(2-methyl-1H-indol-3-yl)methyl]-6-methoxyphenol
CID 23826391
2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 830462
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
CID 23500857
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 3754494
2-methoxy-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171294269
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
CID 729468

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol?
The IUPAC name of 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol (CID 110453411) is 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol is COc1cccc(C(c2c(C)[nH]c3ccccc23)N2CCCCC2)c1O.
What is the InChIKey of 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol?
The InChIKey is BOFLFYXFXCQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-20(16-9-4-5-11-18(16)23-15)21(24-13-6-3-7-14-24)17-10-8-12-19(26-2)22(17)25/h4-5,8-12,21,23,25H,3,6-7,13-14H2,1-2H3.
What are the key properties of 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol?
2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol has a molecular weight of 350.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol is sourced from PubChem (CID 110453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).