1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine

C15H23BrN2O — CID 115305379

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(OC)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O/c1-15(17-2)6-8-18(9-7-15)11-12-10-13(19-3)4-5-14(12)16/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyIJVZIVXCURNKBK-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds4

About 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115305379) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115305379
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(OC)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O/c1-15(17-2)6-8-18(9-7-15)11-12-10-13(19-3)4-5-14(12)16/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyIJVZIVXCURNKBK-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine 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-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304079
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161901
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65323230
4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745320
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 65327008
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923
1-[(2-bromo-5-methoxyphenyl)methyl]-4-butan-2-ylpiperazine
CID 65326018
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 65322924
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115305379) is 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cc(OC)ccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is IJVZIVXCURNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(17-2)6-8-18(9-7-15)11-12-10-13(19-3)4-5-14(12)16/h4-5,10,17H,6-9,11H2,1-3H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).