2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one

C14H18Cl2N2O — CID 62037868

IUPAC2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC(N)C1
InChIInChI=1S/C14H18Cl2N2O/c1-9(18-6-2-3-11(17)8-18)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11H,2-3,6,8,17H2,1H3
InChIKeyKYOZQZWOFOUMHF-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.99
Rot. Bonds3

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

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 62037868) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID62037868
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC(N)C1
InChIInChI=1S/C14H18Cl2N2O/c1-9(18-6-2-3-11(17)8-18)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11H,2-3,6,8,17H2,1H3
InChIKeyKYOZQZWOFOUMHF-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62467958
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one (CID 62037868) is 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is KYOZQZWOFOUMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(18-6-2-3-11(17)8-18)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11H,2-3,6,8,17H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one?
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 301.22 g/mol, XLogP of 2.99, 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)propan-1-one is sourced from PubChem (CID 62037868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).