2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol

C24H34N2O2 — CID 45244943

IUPAC2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
SMILESCOc1cccc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c1O
InChIInChI=1S/C24H34N2O2/c1-19-8-4-5-10-21(19)13-15-26-14-7-9-20(17-26)16-25(2)18-22-11-6-12-23(28-3)24(22)27/h4-6,8,10-12,20,27H,7,9,13-18H2,1-3H3
InChIKeyILNFSIQPUIQDRS-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.10
Rot. Bonds8

About 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol

2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol (PubChem CID 45244943) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
PubChem CID45244943
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
SMILESCOc1cccc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c1O
InChIInChI=1S/C24H34N2O2/c1-19-8-4-5-10-21(19)13-15-26-14-7-9-20(17-26)16-25(2)18-22-11-6-12-23(28-3)24(22)27/h4-6,8,10-12,20,27H,7,9,13-18H2,1-3H3
InChIKeyILNFSIQPUIQDRS-UHFFFAOYSA-N
XLogP4.10
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719
6-[[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 97277717
1-[4-[[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 29029788
4-[4-[[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]phenyl]but-3-yn-1-ol
CID 45230293
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 29000140
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 72845348
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 97269542
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylsulfamoyl]-N-methylethanamine
CID 97282112
5-chloro-4-[[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 42287648
1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 26391346

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol (CID 45244943) is 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol is COc1cccc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c1O.
What is the InChIKey of 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
The InChIKey is ILNFSIQPUIQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-19-8-4-5-10-21(19)13-15-26-14-7-9-20(17-26)16-25(2)18-22-11-6-12-23(28-3)24(22)27/h4-6,8,10-12,20,27H,7,9,13-18H2,1-3H3.
What are the key properties of 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol?
2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol has a molecular weight of 382.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 45244943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).