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

C15H22Cl2N2O — CID 60807480

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
SMILESCCN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-19(13-5-7-18-8-6-13)9-10-20-15-4-3-12(16)11-14(15)17/h3-4,11,13,18H,2,5-10H2,1H3
InChIKeyDWGYMJHXZAHCSH-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine (PubChem CID 60807480) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
PubChem CID60807480
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
SMILESCCN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-19(13-5-7-18-8-6-13)9-10-20-15-4-3-12(16)11-14(15)17/h3-4,11,13,18H,2,5-10H2,1H3
InChIKeyDWGYMJHXZAHCSH-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
CID 10335163
1-[4-(2-Chlorophenoxy)butyl]piperidine
CID 2057799
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
1-[2-(2-Chlorophenoxy)ethyl]piperidine
CID 742763
1-[3-(2,4-Dichloro-phenoxy)-propyl]-1,2,3,6-tetrahydro-pyridine
CID 15521042
(S)-2-((4-(4-chlorophenoxy)phenoxy)methyl)piperidine
CID 46888148
Cyclopropanamine, N-(2-(2-chlorophenoxy)ethyl)-, hydrochloride (1:1)
CID 21485
1-(2-(4-Chlorophenoxy)ethyl)piperazine
CID 894310
N-(2-(2,4,6-Trichlorophenoxy)ethyl)-1-propanamine
CID 3842173
N-{1-[(2,4-Dichlorophenoxy)acetyl]piperidin-4-Yl}-4-Sulfanylbutanamide
CID 71815954
N-[2-(2,4-dichlorophenoxy)acetyl]-1-piperidinecarboxamide
CID 974066

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine (CID 60807480) is N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine is CCN(CCOc1ccc(Cl)cc1Cl)C1CCNCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine?
The InChIKey is DWGYMJHXZAHCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-19(13-5-7-18-8-6-13)9-10-20-15-4-3-12(16)11-14(15)17/h3-4,11,13,18H,2,5-10H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine?
N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine has a molecular weight of 317.26 g/mol, XLogP of 3.45, 6 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-ethylpiperidin-4-amine is sourced from PubChem (CID 60807480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).