N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine

C12H16Br2N2 — CID 43683065

IUPACN-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C12H16Br2N2/c1-16-6-4-10(5-7-16)15-12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyWEHDJGMNROQSMR-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.72
Rot. Bonds2

About N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine

N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine (PubChem CID 43683065) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
PubChem CID43683065
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC NameN-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C12H16Br2N2/c1-16-6-4-10(5-7-16)15-12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyWEHDJGMNROQSMR-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(2,4-dibromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43683153
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylazepan-4-amine
CID 65070164
5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
CID 59613548
N-(2,4-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658270
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 67476109
5-bromo-N-(1-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 43373632

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine (CID 43683065) is N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine?
The InChIKey is WEHDJGMNROQSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-16-6-4-10(5-7-16)15-12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine?
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine has a molecular weight of 348.08 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 43683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).