2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

C14H20Cl2N2O — CID 102965160

IUPAC2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyHOXHJCXUMJKHFQ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.10
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965160) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965160
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyHOXHJCXUMJKHFQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965074
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 104816358
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965160) is 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is COC1CCCN(C(CN)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is HOXHJCXUMJKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 303.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).