1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

C15H23Cl2N3 — CID 83011963

IUPAC1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C)N1NC(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N3/c1-10-4-3-5-11(2)20(10)19-15(9-18)12-6-13(16)8-14(17)7-12/h6-8,10-11,15,19H,3-5,9,18H2,1-2H3
InChIKeySDYGWAYIXLXGTN-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.76
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (PubChem CID 83011963) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
PubChem CID83011963
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C)N1NC(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N3/c1-10-4-3-5-11(2)20(10)19-15(9-18)12-6-13(16)8-14(17)7-12/h6-8,10-11,15,19H,3-5,9,18H2,1-2H3
InChIKeySDYGWAYIXLXGTN-UHFFFAOYSA-N
XLogP3.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (CID 83011963) is 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is CC1CCCC(C)N1NC(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The InChIKey is SDYGWAYIXLXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-10-4-3-5-11(2)20(10)19-15(9-18)12-6-13(16)8-14(17)7-12/h6-8,10-11,15,19H,3-5,9,18H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine has a molecular weight of 316.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).