4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol

C13H17ClFNO — CID 105393974

IUPAC4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2cc(F)ccc2Cl)CCN1C
InChIInChI=1S/C13H17ClFNO/c1-9-8-13(17,5-6-16(9)2)11-7-10(15)3-4-12(11)14/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyYQHDTUZNEUAHBJ-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.78
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol

4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol (PubChem CID 105393974) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol
PubChem CID105393974
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2cc(F)ccc2Cl)CCN1C
InChIInChI=1S/C13H17ClFNO/c1-9-8-13(17,5-6-16(9)2)11-7-10(15)3-4-12(11)14/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyYQHDTUZNEUAHBJ-UHFFFAOYSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol (CID 105393974) is 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol is CC1CC(O)(c2cc(F)ccc2Cl)CCN1C.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol?
The InChIKey is YQHDTUZNEUAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9-8-13(17,5-6-16(9)2)11-7-10(15)3-4-12(11)14/h3-4,7,9,17H,5-6,8H2,1-2H3.
What are the key properties of 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol?
4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol has a molecular weight of 257.74 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 105393974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).