4-(3,5-dichlorophenyl)-3-ethylpiperidine

C13H17Cl2N — CID 79310849

IUPAC4-(3,5-dichlorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-2-9-8-16-4-3-13(9)10-5-11(14)7-12(15)6-10/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyBEUVKKFYJNQMNR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.10
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-3-ethylpiperidine

4-(3,5-dichlorophenyl)-3-ethylpiperidine (PubChem CID 79310849) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-3-ethylpiperidine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-3-ethylpiperidine
PubChem CID79310849
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name4-(3,5-dichlorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-2-9-8-16-4-3-13(9)10-5-11(14)7-12(15)6-10/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyBEUVKKFYJNQMNR-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 4-(3,5-dichlorophenyl)-3-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-3-ethylpiperidine?
The IUPAC name of 4-(3,5-dichlorophenyl)-3-ethylpiperidine (CID 79310849) is 4-(3,5-dichlorophenyl)-3-ethylpiperidine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-3-ethylpiperidine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-3-ethylpiperidine is CCC1CNCCC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-3-ethylpiperidine?
The InChIKey is BEUVKKFYJNQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-2-9-8-16-4-3-13(9)10-5-11(14)7-12(15)6-10/h5-7,9,13,16H,2-4,8H2,1H3.
What are the key properties of 4-(3,5-dichlorophenyl)-3-ethylpiperidine?
4-(3,5-dichlorophenyl)-3-ethylpiperidine has a molecular weight of 258.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-3-ethylpiperidine is sourced from PubChem (CID 79310849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).