1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone

C15H20Cl2N2O2 — CID 119434513

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
SMILESCC(N)C1CCCCN1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)13-4-2-3-7-19(13)15(20)9-21-14-8-11(16)5-6-12(14)17/h5-6,8,10,13H,2-4,7,9,18H2,1H3
InChIKeyFWYYJTHYYPCUNE-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.10
Rot. Bonds4

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone (PubChem CID 119434513) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
PubChem CID119434513
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
SMILESCC(N)C1CCCCN1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)13-4-2-3-7-19(13)15(20)9-21-14-8-11(16)5-6-12(14)17/h5-6,8,10,13H,2-4,7,9,18H2,1H3
InChIKeyFWYYJTHYYPCUNE-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
N-cyclopropyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602935
1-[2-(2,5-Dichlorophenoxy)acetyl]imidazolidin-2-one
CID 9261898
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
Acetamide, 2-(4-chlorophenoxy)-N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 197791
2-(2-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 833323
N-[2-(2,4-dichlorophenoxy)acetyl]-1-piperidinecarboxamide
CID 974066
N-[2-(4-morpholinyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2204057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone (CID 119434513) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone is CC(N)C1CCCCN1C(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone?
The InChIKey is FWYYJTHYYPCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(18)13-4-2-3-7-19(13)15(20)9-21-14-8-11(16)5-6-12(14)17/h5-6,8,10,13H,2-4,7,9,18H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone has a molecular weight of 331.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone is sourced from PubChem (CID 119434513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).