4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol

C24H34N2O — CID 42566598

IUPAC4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C24H34N2O/c1-3-25(18-21-8-10-24(27)11-9-21)19-22-12-15-26(16-13-22)17-14-23-7-5-4-6-20(23)2/h4-11,22,27H,3,12-19H2,1-2H3
InChIKeyDJIMUXMYSUELBM-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.48
Rot. Bonds8

About 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol

4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol (PubChem CID 42566598) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
PubChem CID42566598
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C24H34N2O/c1-3-25(18-21-8-10-24(27)11-9-21)19-22-12-15-26(16-13-22)17-14-23-7-5-4-6-20(23)2/h4-11,22,27H,3,12-19H2,1-2H3
InChIKeyDJIMUXMYSUELBM-UHFFFAOYSA-N
XLogP4.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26331444
N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26400256
N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
CID 25379756
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 72935541
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The IUPAC name of 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol (CID 42566598) is 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol is CCN(Cc1ccc(O)cc1)CC1CCN(CCc2ccccc2C)CC1.
What is the InChIKey of 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The InChIKey is DJIMUXMYSUELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-3-25(18-21-8-10-24(27)11-9-21)19-22-12-15-26(16-13-22)17-14-23-7-5-4-6-20(23)2/h4-11,22,27H,3,12-19H2,1-2H3.
What are the key properties of 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol?
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 42566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).