4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

C16H23BrCl2N2 — CID 43308713

IUPAC4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C16H23BrCl2N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyMSTDVHHCWJEOOG-UHFFFAOYSA-N
MW394.18 g/mol
LogP5.68
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308713) has the molecular formula C16H23BrCl2N2 and a molecular weight of 394.18 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID43308713
Molecular FormulaC16H23BrCl2N2
Molecular Weight394.18 g/mol
Exact Mass392.04
IUPAC Name4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C16H23BrCl2N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyMSTDVHHCWJEOOG-UHFFFAOYSA-N
XLogP5.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.18
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 43308713) is 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is MSTDVHHCWJEOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrCl2N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 394.18 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).