1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine

C12H16BrClN2 — CID 107617221

IUPAC1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2/c1-15-9-3-2-6-16(8-9)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyMVIGSCWNRYPGPI-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine

1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine (PubChem CID 107617221) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
PubChem CID107617221
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2/c1-15-9-3-2-6-16(8-9)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyMVIGSCWNRYPGPI-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine (CID 107617221) is 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine is CNC1CCCN(c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine?
The InChIKey is MVIGSCWNRYPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-15-9-3-2-6-16(8-9)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine?
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-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-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 107617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).