[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine

C15H23BrN2O2 — CID 115963795

IUPAC[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CCOc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C15H23BrN2O2/c1-19-14-5-6-18(13(10-14)11-17)7-8-20-15-4-2-3-12(16)9-15/h2-4,9,13-14H,5-8,10-11,17H2,1H3
InChIKeyOWJYTOWDFUZSSC-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.27
Rot. Bonds6

About [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine

[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 115963795) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID115963795
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CCOc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C15H23BrN2O2/c1-19-14-5-6-18(13(10-14)11-17)7-8-20-15-4-2-3-12(16)9-15/h2-4,9,13-14H,5-8,10-11,17H2,1H3
InChIKeyOWJYTOWDFUZSSC-UHFFFAOYSA-N
XLogP2.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963611
1-[1-[2-(3-bromophenoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79547047
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 115963342
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[1-[2-(3-bromophenoxy)ethyl]piperidin-4-yl] 3-methoxybutanoate
CID 102562742
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033
N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102040

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine (CID 115963795) is [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(CCOc2cccc(Br)c2)C(CN)C1.
What is the InChIKey of [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is OWJYTOWDFUZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-19-14-5-6-18(13(10-14)11-17)7-8-20-15-4-2-3-12(16)9-15/h2-4,9,13-14H,5-8,10-11,17H2,1H3.
What are the key properties of [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 343.26 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 115963795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).