5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine

C13H17Cl2N — CID 82300275

IUPAC5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine
SMILESCC1(C)CNCC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-13(2)6-9(7-16-8-13)11-4-3-10(14)5-12(11)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyVOKGRTOONZAIBY-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.10
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine

5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine (PubChem CID 82300275) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine
PubChem CID82300275
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine
SMILESCC1(C)CNCC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-13(2)6-9(7-16-8-13)11-4-3-10(14)5-12(11)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyVOKGRTOONZAIBY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine (CID 82300275) is 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine is CC1(C)CNCC(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine?
The InChIKey is VOKGRTOONZAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-13(2)6-9(7-16-8-13)11-4-3-10(14)5-12(11)15/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine?
5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine has a molecular weight of 258.19 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 82300275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).