(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol

C12H16FNO — CID 59036702

IUPAC(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)7-10-5-6-14-8-12(10)15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1
InChIKeyHXLXRTPROSDDMP-JQWIXIFHSA-N
MW209.26 g/mol
LogP1.34
Rot. Bonds2

About (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol

(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 59036702) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol
PubChem CID59036702
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)7-10-5-6-14-8-12(10)15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1
InChIKeyHXLXRTPROSDDMP-JQWIXIFHSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol (CID 59036702) is (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol is O[C@H]1CNCC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is HXLXRTPROSDDMP-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)7-10-5-6-14-8-12(10)15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1.
What are the key properties of (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol?
(3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(4-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 59036702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).