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

C16H24Cl2N2 — CID 65467589

IUPAC2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-3-9-20-10-7-13(8-11-20)12(2)19-16-14(17)5-4-6-15(16)18/h4-6,12-13,19H,3,7-11H2,1-2H3
InChIKeyAIZXJHULVCTJRI-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.92
Rot. Bonds5

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

2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 65467589) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID65467589
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-3-9-20-10-7-13(8-11-20)12(2)19-16-14(17)5-4-6-15(16)18/h4-6,12-13,19H,3,7-11H2,1-2H3
InChIKeyAIZXJHULVCTJRI-UHFFFAOYSA-N
XLogP4.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 65467589) is 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is AIZXJHULVCTJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-3-9-20-10-7-13(8-11-20)12(2)19-16-14(17)5-4-6-15(16)18/h4-6,12-13,19H,3,7-11H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline has a molecular weight of 315.29 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 65467589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).