N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine

C14H20Cl2N2O — CID 43607211

IUPACN-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCOc1c(Cl)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2O/c1-18(11-5-7-17-8-6-11)9-10-19-14-12(15)3-2-4-13(14)16/h2-4,11,17H,5-10H2,1H3
InChIKeyYIIOQJYCRPJWOG-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine

N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine (PubChem CID 43607211) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
PubChem CID43607211
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCOc1c(Cl)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2O/c1-18(11-5-7-17-8-6-11)9-10-19-14-12(15)3-2-4-13(14)16/h2-4,11,17H,5-10H2,1H3
InChIKeyYIIOQJYCRPJWOG-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine (CID 43607211) is N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine is CN(CCOc1c(Cl)cccc1Cl)C1CCNCC1.
What is the InChIKey of N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is YIIOQJYCRPJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-18(11-5-7-17-8-6-11)9-10-19-14-12(15)3-2-4-13(14)16/h2-4,11,17H,5-10H2,1H3.
What are the key properties of N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 303.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 43607211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).