1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine

C14H21BrN2 — CID 139516178

IUPAC1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11-4-5-14(13(15)10-11)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyMBYFIFUMRZKRJE-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.29
Rot. Bonds2

About 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine

1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 139516178) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID139516178
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11-4-5-14(13(15)10-11)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyMBYFIFUMRZKRJE-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-methylphenyl)-N,N-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-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
N'-[1-(2-bromo-4-methylphenyl)pyrrolidin-3-yl]-N'-methylethane-1,2-diamine
CID 117004393
1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 114048172
1-(2-ethynyl-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 155709362
1-(2-bromo-4-methylphenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022832
ethane;1-(2-ethynyl-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 155709361
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799389
cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone
CID 155205280
5-bromo-2-[4-(dimethylamino)piperidin-1-yl]benzaldehyde
CID 71652027
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
CID 117007800
(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 59886840

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine (CID 139516178) is 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine is Cc1ccc(N2CCC(N(C)C)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is MBYFIFUMRZKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-4-5-14(13(15)10-11)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 139516178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).