4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one

C18H26Cl2N2O2 — CID 119644834

IUPAC4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCNCC1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-2-21-13-14-7-9-22(10-8-14)18(23)4-3-11-24-17-6-5-15(19)12-16(17)20/h5-6,12,14,21H,2-4,7-11,13H2,1H3
InChIKeyMEYUXOLEXUJCMP-UHFFFAOYSA-N
MW373.32 g/mol
LogP4.00
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one

4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 119644834) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID119644834
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCNCC1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-2-21-13-14-7-9-22(10-8-14)18(23)4-3-11-24-17-6-5-15(19)12-16(17)20/h5-6,12,14,21H,2-4,7-11,13H2,1H3
InChIKeyMEYUXOLEXUJCMP-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647198
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
1-(4-benzylpiperidin-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one
CID 3428823
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
2-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566578
4-(4-chlorophenyl)sulfanyl-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119644684
4-(2,4-dichlorophenoxy)-1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]butan-1-one
CID 86958310
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645425
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one (CID 119644834) is 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one is CCNCC1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is MEYUXOLEXUJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2/c1-2-21-13-14-7-9-22(10-8-14)18(23)4-3-11-24-17-6-5-15(19)12-16(17)20/h5-6,12,14,21H,2-4,7-11,13H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 373.32 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119644834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).