1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C17H28N2O — CID 62430706

IUPAC1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCC(C)CC2C)c1
InChIInChI=1S/C17H28N2O/c1-14-7-8-19(15(2)11-14)9-10-20-17-6-4-5-16(12-17)13-18-3/h4-6,12,14-15,18H,7-11,13H2,1-3H3
InChIKeyXLRRCHUXRVANIU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

About 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62430706) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62430706
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCC(C)CC2C)c1
InChIInChI=1S/C17H28N2O/c1-14-7-8-19(15(2)11-14)9-10-20-17-6-4-5-16(12-17)13-18-3/h4-6,12,14-15,18H,7-11,13H2,1-3H3
InChIKeyXLRRCHUXRVANIU-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
CID 64730838
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
CID 64583405
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
4-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]benzoic acid
CID 62332504
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
4-[3-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]phenoxy]butanenitrile
CID 119108974
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62430706) is 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCN2CCC(C)CC2C)c1.
What is the InChIKey of 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is XLRRCHUXRVANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-8-19(15(2)11-14)9-10-20-17-6-4-5-16(12-17)13-18-3/h4-6,12,14-15,18H,7-11,13H2,1-3H3.
What are the key properties of 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62430706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).