2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol

C22H30N2O2 — CID 45174860

IUPAC2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
SMILESCOc1ccc(CN(C)C2CCCN(CCc3ccccc3)C2)cc1O
InChIInChI=1S/C22H30N2O2/c1-23(16-19-10-11-22(26-2)21(25)15-19)20-9-6-13-24(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20,25H,6,9,12-14,16-17H2,1-2H3
InChIKeyWASJSOHWBOCRGS-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.54
Rot. Bonds7

About 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol

2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol (PubChem CID 45174860) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
PubChem CID45174860
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
SMILESCOc1ccc(CN(C)C2CCCN(CCc3ccccc3)C2)cc1O
InChIInChI=1S/C22H30N2O2/c1-23(16-19-10-11-22(26-2)21(25)15-19)20-9-6-13-24(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20,25H,6,9,12-14,16-17H2,1-2H3
InChIKeyWASJSOHWBOCRGS-UHFFFAOYSA-N
XLogP3.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
CID 51635760
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
5-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]-2-methoxyphenol
CID 51633838
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 25303878
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
CID 82983306
5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol
CID 56882991
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
2-methoxy-4-[[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 25284204
3-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]phenol
CID 51635899

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol (CID 45174860) is 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol is COc1ccc(CN(C)C2CCCN(CCc3ccccc3)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol?
The InChIKey is WASJSOHWBOCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(16-19-10-11-22(26-2)21(25)15-19)20-9-6-13-24(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20,25H,6,9,12-14,16-17H2,1-2H3.
What are the key properties of 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol?
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol has a molecular weight of 354.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol is sourced from PubChem (CID 45174860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).