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

C17H28N2O — CID 62413368

IUPAC1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCCC(C)C2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-5-4-10-19(15(14)2)11-12-20-17-8-6-16(7-9-17)13-18-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyAYEQNXYHBTVMKJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

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

1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62413368) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62413368
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCCC(C)C2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-5-4-10-19(15(14)2)11-12-20-17-8-6-16(7-9-17)13-18-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyAYEQNXYHBTVMKJ-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-[4-[2-(2,3-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

4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
CID 55040511
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
3-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 62123204
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
methyl (2R)-1-[2-[4-(cyanomethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 96547821
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzonitrile
CID 62123740
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62413368) is 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCN2CCCC(C)C2C)cc1.
What is the InChIKey of 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is AYEQNXYHBTVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-5-4-10-19(15(14)2)11-12-20-17-8-6-16(7-9-17)13-18-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(2,3-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-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62413368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).