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

C19H25FN2O — CID 58503459

IUPAC[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t15?,17-,18+
InChIKeyLLMUPBOEXUNNQT-ZNXRZULTSA-N
MW316.42 g/mol
LogP4.14
Rot. Bonds1

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

[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (PubChem CID 58503459) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
PubChem CID58503459
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t15?,17-,18+
InChIKeyLLMUPBOEXUNNQT-ZNXRZULTSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (CID 58503459) is [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The InChIKey is LLMUPBOEXUNNQT-ZNXRZULTSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t15?,17-,18+.
What are the key properties of [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone has a molecular weight of 316.42 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58503459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).