(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol

C25H31NO — CID 16726334

IUPAC(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESO[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2
InChIInChI=1S/C25H31NO/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-24,27H,3,8-9,14-18H2/t21-,22+,23-,24?,25?/m1/s1
InChIKeyZYCCDGNCYIZABH-HTOMHKFXSA-N
MW361.53 g/mol
LogP4.95
Rot. Bonds3

About (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol

(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol (PubChem CID 16726334) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
PubChem CID16726334
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESO[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2
InChIInChI=1S/C25H31NO/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-24,27H,3,8-9,14-18H2/t21-,22+,23-,24?,25?/m1/s1
InChIKeyZYCCDGNCYIZABH-HTOMHKFXSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol with MolForge

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Related Compounds

(6R,7R)-6,7-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 11315779
[(2S,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] prop-2-enoate
CID 25266100
1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
CID 11256011
[(2S,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] 3-(4-hydroxypiperidin-1-yl)propanoate
CID 25266442
7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
CID 118728461
1-[(Z)-[(6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanylidene]amino]-3-phenylthiourea
CID 11398087
(1S,5S,7S,8S)-7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 56958056
(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 11644901
N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine
CID 51347364
7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037746
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
ethyl 2-[(2R,6R,7R)-2-hydroxy-6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl]acetate
CID 11697757

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol (CID 16726334) is (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol is O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2.
What is the InChIKey of (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The InChIKey is ZYCCDGNCYIZABH-HTOMHKFXSA-N. The full InChI is InChI=1S/C25H31NO/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-24,27H,3,8-9,14-18H2/t21-,22+,23-,24?,25?/m1/s1.
What are the key properties of (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol has a molecular weight of 361.53 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 16726334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).