(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H18Cl2N2O — CID 82833580

IUPAC(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,3-6,17H2,1-2H3
InChIKeyYKQHSSQNQPPHLU-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.84
Rot. Bonds1

About (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 82833580) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID82833580
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,3-6,17H2,1-2H3
InChIKeyYKQHSSQNQPPHLU-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743680
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 82832883
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(3-chloro-4-iodophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 103222128
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
(4-amino-3,5-dichlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82813283
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 82833580) is (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is YKQHSSQNQPPHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,3-6,17H2,1-2H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 301.22 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 82833580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).