(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one

C25H29NO2 — CID 22828570

IUPAC(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)C[C@@H]1C2N1CCCCC1
InChIInChI=1S/C25H29NO2/c27-23-15-22-24(16-21(23)25(22)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,24-25H,2,5-6,13-17H2/t21-,22?,24?,25?/m0/s1
InChIKeyWDCGRPTXKWUXLZ-GOUVDAFJSA-N
MW375.51 g/mol
LogP4.70
Rot. Bonds5

About (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one

(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one (PubChem CID 22828570) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one
PubChem CID22828570
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)C[C@@H]1C2N1CCCCC1
InChIInChI=1S/C25H29NO2/c27-23-15-22-24(16-21(23)25(22)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,24-25H,2,5-6,13-17H2/t21-,22?,24?,25?/m0/s1
InChIKeyWDCGRPTXKWUXLZ-GOUVDAFJSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one (CID 22828570) is (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one is O=C1CC2C(OCc3ccc(-c4ccccc4)cc3)C[C@@H]1C2N1CCCCC1.
What is the InChIKey of (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one?
The InChIKey is WDCGRPTXKWUXLZ-GOUVDAFJSA-N. The full InChI is InChI=1S/C25H29NO2/c27-23-15-22-24(16-21(23)25(22)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,24-25H,2,5-6,13-17H2/t21-,22?,24?,25?/m0/s1.
What are the key properties of (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one?
(1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one has a molecular weight of 375.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(4-phenylphenyl)methoxy]-7-piperidin-1-ylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 22828570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).