2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine

C18H28N2O2 — CID 19085398

IUPAC2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine
SMILESCOc1ccccc1OCCN1CCC(=CCN(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-19(2)11-8-16-9-12-20(13-10-16)14-15-22-18-7-5-4-6-17(18)21-3/h4-8H,9-15H2,1-3H3
InChIKeyGWZYQKCAGQXNSE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.66
Rot. Bonds7

About 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine

2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine (PubChem CID 19085398) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine
PubChem CID19085398
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine
SMILESCOc1ccccc1OCCN1CCC(=CCN(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-19(2)11-8-16-9-12-20(13-10-16)14-15-22-18-7-5-4-6-17(18)21-3/h4-8H,9-15H2,1-3H3
InChIKeyGWZYQKCAGQXNSE-UHFFFAOYSA-N
XLogP2.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine (CID 19085398) is 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine is COc1ccccc1OCCN1CCC(=CCN(C)C)CC1.
What is the InChIKey of 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine?
The InChIKey is GWZYQKCAGQXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19(2)11-8-16-9-12-20(13-10-16)14-15-22-18-7-5-4-6-17(18)21-3/h4-8H,9-15H2,1-3H3.
What are the key properties of 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine?
2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine is sourced from PubChem (CID 19085398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).