(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

C17H25FN2O2 — CID 25477595

IUPAC(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(Cc3ccccc3F)C[C@H]2O)CC1
InChIInChI=1S/C17H25FN2O2/c18-15-4-2-1-3-13(15)11-19-8-7-16(17(22)12-19)20-9-5-14(21)6-10-20/h1-4,14,16-17,21-22H,5-12H2/t16-,17-/m1/s1
InChIKeyPQMJGKPIOFFRPF-IAGOWNOFSA-N
MW308.40 g/mol
LogP1.22
Rot. Bonds3

About (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (PubChem CID 25477595) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
PubChem CID25477595
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(Cc3ccccc3F)C[C@H]2O)CC1
InChIInChI=1S/C17H25FN2O2/c18-15-4-2-1-3-13(15)11-19-8-7-16(17(22)12-19)20-9-5-14(21)6-10-20/h1-4,14,16-17,21-22H,5-12H2/t16-,17-/m1/s1
InChIKeyPQMJGKPIOFFRPF-IAGOWNOFSA-N
XLogP1.22
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (CID 25477595) is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is OC1CCN([C@@H]2CCN(Cc3ccccc3F)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The InChIKey is PQMJGKPIOFFRPF-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-15-4-2-1-3-13(15)11-19-8-7-16(17(22)12-19)20-9-5-14(21)6-10-20/h1-4,14,16-17,21-22H,5-12H2/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol has a molecular weight of 308.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is sourced from PubChem (CID 25477595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).