(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine

C16H26N2O2 — CID 30069929

IUPAC(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
SMILESCOc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1OC
InChIInChI=1S/C16H26N2O2/c1-12-6-5-9-18(11-12)14(10-17)13-7-4-8-15(19-2)16(13)20-3/h4,7-8,12,14H,5-6,9-11,17H2,1-3H3/t12-,14+/m1/s1
InChIKeyIBVVTNVBRHXFIS-OCCSQVGLSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds5

About (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine

(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine (PubChem CID 30069929) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
PubChem CID30069929
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
SMILESCOc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1OC
InChIInChI=1S/C16H26N2O2/c1-12-6-5-9-18(11-12)14(10-17)13-7-4-8-15(19-2)16(13)20-3/h4,7-8,12,14H,5-6,9-11,17H2,1-3H3/t12-,14+/m1/s1
InChIKeyIBVVTNVBRHXFIS-OCCSQVGLSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine (CID 30069929) is (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine is COc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1OC.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine?
The InChIKey is IBVVTNVBRHXFIS-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-6-5-9-18(11-12)14(10-17)13-7-4-8-15(19-2)16(13)20-3/h4,7-8,12,14H,5-6,9-11,17H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine?
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 30069929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).