2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine

C14H21BrN2O — CID 63782212

IUPAC2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C14H21BrN2O/c1-18-13-5-8-17(9-6-13)14-10-12(15)3-2-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3
InChIKeyNNNQODYANLIFFS-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine

2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine (PubChem CID 63782212) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
PubChem CID63782212
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C14H21BrN2O/c1-18-13-5-8-17(9-6-13)14-10-12(15)3-2-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3
InChIKeyNNNQODYANLIFFS-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
N-[[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43373114
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
2-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanamine
CID 63784455
2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63783108
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 114892399
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 61215787
1-[5-bromo-2-(chloromethyl)phenyl]-3-methoxypiperidine
CID 102965866

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine (CID 63782212) is 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine is COC1CCN(c2cc(Br)ccc2CCN)CC1.
What is the InChIKey of 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
The InChIKey is NNNQODYANLIFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-18-13-5-8-17(9-6-13)14-10-12(15)3-2-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3.
What are the key properties of 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine?
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63782212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).