4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol

C13H17ClFNO — CID 11586945

IUPAC4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C13H17ClFNO/c1-2-16-7-5-13(17,6-8-16)10-3-4-12(15)11(14)9-10/h3-4,9,17H,2,5-8H2,1H3
InChIKeyMVUQGHJIFZUNFL-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.78
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol

4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol (PubChem CID 11586945) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol
PubChem CID11586945
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C13H17ClFNO/c1-2-16-7-5-13(17,6-8-16)10-3-4-12(15)11(14)9-10/h3-4,9,17H,2,5-8H2,1H3
InChIKeyMVUQGHJIFZUNFL-UHFFFAOYSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol (CID 11586945) is 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol?
The InChIKey is MVUQGHJIFZUNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-2-16-7-5-13(17,6-8-16)10-3-4-12(15)11(14)9-10/h3-4,9,17H,2,5-8H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol?
4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol has a molecular weight of 257.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 11586945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).