2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol

C13H17Cl2NO — CID 73309636

IUPAC2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
SMILESOCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2
InChIKeyVBLILHAGVIRWHD-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.21
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol

2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol (PubChem CID 73309636) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
PubChem CID73309636
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
SMILESOCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2
InChIKeyVBLILHAGVIRWHD-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol 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 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol (CID 73309636) is 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol is OCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol?
The InChIKey is VBLILHAGVIRWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol?
2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol has a molecular weight of 274.19 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 73309636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).