4-(3-chloro-2-fluorophenyl)piperidin-4-ol

C11H13ClFNO — CID 23149985

IUPAC4-(3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C11H13ClFNO/c12-9-3-1-2-8(10(9)13)11(15)4-6-14-7-5-11/h1-3,14-15H,4-7H2
InChIKeyADAPSTOELDDENF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.05
Rot. Bonds1

About 4-(3-chloro-2-fluorophenyl)piperidin-4-ol

4-(3-chloro-2-fluorophenyl)piperidin-4-ol (PubChem CID 23149985) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)piperidin-4-ol
PubChem CID23149985
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C11H13ClFNO/c12-9-3-1-2-8(10(9)13)11(15)4-6-14-7-5-11/h1-3,14-15H,4-7H2
InChIKeyADAPSTOELDDENF-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)piperidin-4-ol (CID 23149985) is 4-(3-chloro-2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)piperidin-4-ol is OC1(c2cccc(Cl)c2F)CCNCC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)piperidin-4-ol?
The InChIKey is ADAPSTOELDDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-3-1-2-8(10(9)13)11(15)4-6-14-7-5-11/h1-3,14-15H,4-7H2.
What are the key properties of 4-(3-chloro-2-fluorophenyl)piperidin-4-ol?
4-(3-chloro-2-fluorophenyl)piperidin-4-ol has a molecular weight of 229.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 23149985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).