2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine

C17H28N2O3 — CID 171158059

IUPAC2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)C2)c(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-12-6-5-9-19(11-12)14(10-18)13-7-8-15(20-2)17(22-4)16(13)21-3/h7-8,12,14H,5-6,9-11,18H2,1-4H3
InChIKeyNIYBYAIQFOBURI-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.44
Rot. Bonds6

About 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine

2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine (PubChem CID 171158059) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
PubChem CID171158059
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)C2)c(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-12-6-5-9-19(11-12)14(10-18)13-7-8-15(20-2)17(22-4)16(13)21-3/h7-8,12,14H,5-6,9-11,18H2,1-4H3
InChIKeyNIYBYAIQFOBURI-UHFFFAOYSA-N
XLogP2.44
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine (CID 171158059) is 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCCC(C)C2)c(OC)c1OC.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine?
The InChIKey is NIYBYAIQFOBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-6-5-9-19(11-12)14(10-18)13-7-8-15(20-2)17(22-4)16(13)21-3/h7-8,12,14H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine?
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine has a molecular weight of 308.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 171158059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).