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

C15H20Cl2N2O — CID 119434426

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10(18)14-4-2-3-7-19(14)15(20)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14H,2-4,7-8,18H2,1H3
InChIKeyURGDZWCCBGSYAQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.26
Rot. Bonds3

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

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone (PubChem CID 119434426) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
PubChem CID119434426
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10(18)14-4-2-3-7-19(14)15(20)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14H,2-4,7-8,18H2,1H3
InChIKeyURGDZWCCBGSYAQ-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-chloro-4-nitrophenyl)ethanone
CID 119436072
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 119434513
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 119436666
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)sulfanylethanone
CID 119436747
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 119435917
2-(2,4-dichlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030140
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-bromo-4-nitrophenyl)ethanone
CID 119435716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone (CID 119434426) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone is CC(N)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is URGDZWCCBGSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(18)14-4-2-3-7-19(14)15(20)8-11-5-6-12(16)9-13(11)17/h5-6,9-10,14H,2-4,7-8,18H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone has a molecular weight of 315.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 119434426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).