2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine

C16H26N2O — CID 106586509

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
SMILESCOCC1CCCN(CC(N)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O/c1-13-5-7-15(8-6-13)16(17)11-18-9-3-4-14(10-18)12-19-2/h5-8,14,16H,3-4,9-12,17H2,1-2H3
InChIKeyPJGSDAIMMZEALC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine (PubChem CID 106586509) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
PubChem CID106586509
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
SMILESCOCC1CCCN(CC(N)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O/c1-13-5-7-15(8-6-13)16(17)11-18-9-3-4-14(10-18)12-19-2/h5-8,14,16H,3-4,9-12,17H2,1-2H3
InChIKeyPJGSDAIMMZEALC-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine (CID 106586509) is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine is COCC1CCCN(CC(N)c2ccc(C)cc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine?
The InChIKey is PJGSDAIMMZEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-7-15(8-6-13)16(17)11-18-9-3-4-14(10-18)12-19-2/h5-8,14,16H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine?
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 106586509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).