2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine

C16H26N2O — CID 116962841

IUPAC2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
SMILESCOc1cc(C)c(C)cc1C1CCN(CCN)CC1
InChIInChI=1S/C16H26N2O/c1-12-10-15(16(19-3)11-13(12)2)14-4-7-18(8-5-14)9-6-17/h10-11,14H,4-9,17H2,1-3H3
InChIKeyBVJNMONYTNRADP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine

2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine (PubChem CID 116962841) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
PubChem CID116962841
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
SMILESCOc1cc(C)c(C)cc1C1CCN(CCN)CC1
InChIInChI=1S/C16H26N2O/c1-12-10-15(16(19-3)11-13(12)2)14-4-7-18(8-5-14)9-6-17/h10-11,14H,4-9,17H2,1-3H3
InChIKeyBVJNMONYTNRADP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine
CID 116962880
4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine
CID 18751543
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
CID 116962660
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol
CID 82624559
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanamine
CID 116965536
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine (CID 116962841) is 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine is COc1cc(C)c(C)cc1C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine?
The InChIKey is BVJNMONYTNRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-15(16(19-3)11-13(12)2)14-4-7-18(8-5-14)9-6-17/h10-11,14H,4-9,17H2,1-3H3.
What are the key properties of 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine?
2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116962841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).