N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

C17H28N2O — CID 63058738

IUPACN-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H28N2O/c1-14-10-15(2)13-19(12-14)17-7-5-4-6-16(17)11-18-8-9-20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyGLAJUAKGVSLYBZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds6

About N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63058738) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63058738
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H28N2O/c1-14-10-15(2)13-19(12-14)17-7-5-4-6-16(17)11-18-8-9-20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyGLAJUAKGVSLYBZ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
2-methoxy-N-[[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635351
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine
CID 63071914
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 55148767

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 63058738) is N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1N1CC(C)CC(C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is GLAJUAKGVSLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-10-15(2)13-19(12-14)17-7-5-4-6-16(17)11-18-8-9-20-3/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63058738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).