(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H18Cl2N2O — CID 107185070

IUPAC(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(N)cc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)10-7-9(17)8-11(15)12(10)16/h7-8H,3-6,17H2,1-2H3
InChIKeyBILCWGAOUPTNRM-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.84
Rot. Bonds1

About (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 107185070) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID107185070
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(N)cc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)10-7-9(17)8-11(15)12(10)16/h7-8H,3-6,17H2,1-2H3
InChIKeyBILCWGAOUPTNRM-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

(2,3-dichloro-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107188786
(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103296424
(5-amino-2,3-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107210976
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 107185544
(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107185687
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
CID 107185781
(5-amino-2,3-dichlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107185109

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 107185070) is (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc(N)cc(Cl)c2Cl)CC1.
What is the InChIKey of (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is BILCWGAOUPTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-14(2)3-5-18(6-4-14)13(19)10-7-9(17)8-11(15)12(10)16/h7-8H,3-6,17H2,1-2H3.
What are the key properties of (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(5-amino-2,3-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 (5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107185070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).