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

C11H13ClFNO — CID 69076955

IUPAC(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol
SMILESO[C@@]1(c2ccc(F)c(Cl)c2)CCCNC1
InChIInChI=1S/C11H13ClFNO/c12-9-6-8(2-3-10(9)13)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2/t11-/m0/s1
InChIKeyJSQDTTSLVHKPIJ-NSHDSACASA-N
MW229.68 g/mol
LogP2.05
Rot. Bonds1

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

(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol (PubChem CID 69076955) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol
PubChem CID69076955
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol
SMILESO[C@@]1(c2ccc(F)c(Cl)c2)CCCNC1
InChIInChI=1S/C11H13ClFNO/c12-9-6-8(2-3-10(9)13)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2/t11-/m0/s1
InChIKeyJSQDTTSLVHKPIJ-NSHDSACASA-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 (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol?
The IUPAC name of (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol (CID 69076955) is (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol?
The canonical SMILES for (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol is O[C@@]1(c2ccc(F)c(Cl)c2)CCCNC1.
What is the InChIKey of (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol?
The InChIKey is JSQDTTSLVHKPIJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-6-8(2-3-10(9)13)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2/t11-/m0/s1.
What are the key properties of (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol?
(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-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 (3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 69076955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).