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

C14H21Cl3N2O — CID 119913425

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-18(12-4-6-17-7-5-12)8-9-19-14-3-2-11(15)10-13(14)16;/h2-3,10,12,17H,4-9H2,1H3;1H
InChIKeyUGDYKELTZUBVSQ-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.48
Rot. Bonds5

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

N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119913425) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119913425
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-18(12-4-6-17-7-5-12)8-9-19-14-3-2-11(15)10-13(14)16;/h2-3,10,12,17H,4-9H2,1H3;1H
InChIKeyUGDYKELTZUBVSQ-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119913425) is N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride is CN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is UGDYKELTZUBVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-18(12-4-6-17-7-5-12)8-9-19-14-3-2-11(15)10-13(14)16;/h2-3,10,12,17H,4-9H2,1H3;1H.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride?
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119913425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).