2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone

C13H16Cl2N2O — CID 62037871

IUPAC2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)6-9)13(18)8-17-5-1-2-10(16)7-17/h3-4,6,10H,1-2,5,7-8,16H2
InChIKeySENQNLZULGSDKM-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 62037871) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
PubChem CID62037871
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)6-9)13(18)8-17-5-1-2-10(16)7-17/h3-4,6,10H,1-2,5,7-8,16H2
InChIKeySENQNLZULGSDKM-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
CID 102985024
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone (CID 62037871) is 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone is NC1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is SENQNLZULGSDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)6-9)13(18)8-17-5-1-2-10(16)7-17/h3-4,6,10H,1-2,5,7-8,16H2.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone?
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 287.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 62037871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).