2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol

C13H17ClFNO — CID 116860133

IUPAC2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
SMILESOCC(c1cc(Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-10-4-5-12(15)11(8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyGRFKNHZYBDKQML-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.00
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol

2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol (PubChem CID 116860133) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
PubChem CID116860133
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
SMILESOCC(c1cc(Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-10-4-5-12(15)11(8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyGRFKNHZYBDKQML-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol (CID 116860133) is 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol is OCC(c1cc(Cl)ccc1F)N1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol?
The InChIKey is GRFKNHZYBDKQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-10-4-5-12(15)11(8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol?
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol has a molecular weight of 257.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 116860133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).