1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine

C12H16BrClN2 — CID 81280758

IUPAC1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H16BrClN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3
InChIKeyBBPRJUBDXNXIFF-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine

1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine (PubChem CID 81280758) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
PubChem CID81280758
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H16BrClN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3
InChIKeyBBPRJUBDXNXIFF-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
1-(2-bromo-4-chlorophenyl)-1,4-diazepane
CID 81272279
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
CID 81271640
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine (CID 81280758) is 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine?
The InChIKey is BBPRJUBDXNXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine?
1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine has a molecular weight of 303.63 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 81280758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).