2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone

C18H26Cl2N2O — CID 14810954

IUPAC2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3
InChIKeyZSNPTGYVRMEOHR-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.26
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 14810954) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID14810954
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3
InChIKeyZSNPTGYVRMEOHR-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone (CID 14810954) is 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone is CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is ZSNPTGYVRMEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 357.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-(diethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14810954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).