1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol

C18H30N2O — CID 63236873

IUPAC1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
SMILESCc1ccc(C)c(C(O)CN(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14-5-6-15(2)17(11-14)18(21)13-20(4)12-16-7-9-19(3)10-8-16/h5-6,11,16,18,21H,7-10,12-13H2,1-4H3
InChIKeyGQIXHDRBLXSQLV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.61
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol

1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol (PubChem CID 63236873) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
PubChem CID63236873
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
SMILESCc1ccc(C)c(C(O)CN(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14-5-6-15(2)17(11-14)18(21)13-20(4)12-16-7-9-19(3)10-8-16/h5-6,11,16,18,21H,7-10,12-13H2,1-4H3
InChIKeyGQIXHDRBLXSQLV-UHFFFAOYSA-N
XLogP2.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 63273824
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol (CID 63236873) is 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol is Cc1ccc(C)c(C(O)CN(C)CC2CCN(C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol?
The InChIKey is GQIXHDRBLXSQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-5-6-15(2)17(11-14)18(21)13-20(4)12-16-7-9-19(3)10-8-16/h5-6,11,16,18,21H,7-10,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol?
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 63236873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).