[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone

C18H23NO — CID 171344654

IUPAC[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone
SMILESO=C(C1[C@@H]2CC[C@@]1(c1ccccc1)C2)N1CCCCC1
InChIInChI=1S/C18H23NO/c20-17(19-11-5-2-6-12-19)16-14-9-10-18(16,13-14)15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16?,18+/m1/s1
InChIKeyLXIJFGSXELJCLT-ZRFIFAGDSA-N
MW269.39 g/mol
LogP3.37
Rot. Bonds2

About [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone

[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone (PubChem CID 171344654) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone
PubChem CID171344654
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone
SMILESO=C(C1[C@@H]2CC[C@@]1(c1ccccc1)C2)N1CCCCC1
InChIInChI=1S/C18H23NO/c20-17(19-11-5-2-6-12-19)16-14-9-10-18(16,13-14)15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16?,18+/m1/s1
InChIKeyLXIJFGSXELJCLT-ZRFIFAGDSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone (CID 171344654) is [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone is O=C(C1[C@@H]2CC[C@@]1(c1ccccc1)C2)N1CCCCC1.
What is the InChIKey of [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone?
The InChIKey is LXIJFGSXELJCLT-ZRFIFAGDSA-N. The full InChI is InChI=1S/C18H23NO/c20-17(19-11-5-2-6-12-19)16-14-9-10-18(16,13-14)15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16?,18+/m1/s1.
What are the key properties of [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone?
[(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone has a molecular weight of 269.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-1-phenyl-5-bicyclo[2.1.1]hexanyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 171344654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).