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

C14H18Cl2N2O — CID 107185001

IUPAC(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)C1
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-4-18(9(2)5-8)14(19)11-6-10(17)7-12(15)13(11)16/h6-9H,3-5,17H2,1-2H3
InChIKeyFVLUQWQFMHDSLN-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.84
Rot. Bonds1

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

(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 107185001) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID107185001
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)C1
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-4-18(9(2)5-8)14(19)11-6-10(17)7-12(15)13(11)16/h6-9H,3-5,17H2,1-2H3
InChIKeyFVLUQWQFMHDSLN-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-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,3-dichlorophenyl)methanone
CID 107186081
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(6-amino-3-chloro-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62329720
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107872673
(3,4-dichloro-5-nitrophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62331028
2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 65387685
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
(5-amino-2,3-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107210976
3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline
CID 106890304

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 107185001) is (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C(C)C1.
What is the InChIKey of (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is FVLUQWQFMHDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8-3-4-18(9(2)5-8)14(19)11-6-10(17)7-12(15)13(11)16/h6-9H,3-5,17H2,1-2H3.
What are the key properties of (5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(5-amino-2,3-dichlorophenyl)-(2,4-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)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107185001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).