[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone

C19H25FN2O2 — CID 58503501

IUPAC[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O2/c20-15-3-1-13(2-4-15)14-11-16-5-6-17(12-14)22(16)19(24)21-9-7-18(23)8-10-21/h1-4,14,16-18,23H,5-12H2/t14?,16-,17+
InChIKeyBJMRTGYMHHEEQF-ZXFUBFMLSA-N
MW332.42 g/mol
LogP3.11
Rot. Bonds1

About [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone

[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 58503501) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID58503501
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O2/c20-15-3-1-13(2-4-15)14-11-16-5-6-17(12-14)22(16)19(24)21-9-7-18(23)8-10-21/h1-4,14,16-18,23H,5-12H2/t14?,16-,17+
InChIKeyBJMRTGYMHHEEQF-ZXFUBFMLSA-N
XLogP3.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 58503501) is [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(N1CCC(O)CC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BJMRTGYMHHEEQF-ZXFUBFMLSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-15-3-1-13(2-4-15)14-11-16-5-6-17(12-14)22(16)19(24)21-9-7-18(23)8-10-21/h1-4,14,16-18,23H,5-12H2/t14?,16-,17+.
What are the key properties of [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone?
[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 332.42 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 58503501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).