1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine

C15H23BrN2 — CID 172648455

IUPAC1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cccc(CN2CCC(N(C)C)CC2)c1Br
InChIInChI=1S/C15H23BrN2/c1-12-5-4-6-13(15(12)16)11-18-9-7-14(8-10-18)17(2)3/h4-6,14H,7-11H2,1-3H3
InChIKeyMYGZLVLICXCPCX-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.28
Rot. Bonds3

About 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine

1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 172648455) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID172648455
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cccc(CN2CCC(N(C)C)CC2)c1Br
InChIInChI=1S/C15H23BrN2/c1-12-5-4-6-13(15(12)16)11-18-9-7-14(8-10-18)17(2)3/h4-6,14H,7-11H2,1-3H3
InChIKeyMYGZLVLICXCPCX-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 165487496
1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56889867
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-[(2-hydrazinyl-3-pyridinyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62471319
3-bromo-4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 102767053
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 166121018
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 172648451
(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine
CID 166885584
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 172648455) is 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine is Cc1cccc(CN2CCC(N(C)C)CC2)c1Br.
What is the InChIKey of 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is MYGZLVLICXCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12-5-4-6-13(15(12)16)11-18-9-7-14(8-10-18)17(2)3/h4-6,14H,7-11H2,1-3H3.
What are the key properties of 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 172648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).