2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine

C16H26N2O — CID 102965335

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2ccc(C)cc2)CCC1C
InChIInChI=1S/C16H26N2O/c1-12-4-6-14(7-5-12)15(17)10-18-9-8-13(2)16(11-18)19-3/h4-7,13,15-16H,8-11,17H2,1-3H3
InChIKeyIUKRLVNJESEFNT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.35
Rot. Bonds4

About 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine

2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 102965335) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
PubChem CID102965335
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2ccc(C)cc2)CCC1C
InChIInChI=1S/C16H26N2O/c1-12-4-6-14(7-5-12)15(17)10-18-9-8-13(2)16(11-18)19-3/h4-7,13,15-16H,8-11,17H2,1-3H3
InChIKeyIUKRLVNJESEFNT-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
CID 102965330
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43372809
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine (CID 102965335) is 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine is COC1CN(CC(N)c2ccc(C)cc2)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is IUKRLVNJESEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-6-14(7-5-12)15(17)10-18-9-8-13(2)16(11-18)19-3/h4-7,13,15-16H,8-11,17H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine?
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102965335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).