(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol

C19H27NO — CID 11644901

IUPAC(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESO[C@H]1CC2(N3CCCCC3)CCC1(c1ccccc1)CC2
InChIInChI=1S/C19H27NO/c21-17-15-18(20-13-5-2-6-14-20)9-11-19(17,12-10-18)16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2/t17-,18?,19?/m0/s1
InChIKeyFOCUFDHKRJCQNS-VIQWUECVSA-N
MW285.43 g/mol
LogP3.49
Rot. Bonds2

About (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol

(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol (PubChem CID 11644901) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
PubChem CID11644901
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
SMILESO[C@H]1CC2(N3CCCCC3)CCC1(c1ccccc1)CC2
InChIInChI=1S/C19H27NO/c21-17-15-18(20-13-5-2-6-14-20)9-11-19(17,12-10-18)16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2/t17-,18?,19?/m0/s1
InChIKeyFOCUFDHKRJCQNS-VIQWUECVSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol (CID 11644901) is (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol is O[C@H]1CC2(N3CCCCC3)CCC1(c1ccccc1)CC2.
What is the InChIKey of (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
The InChIKey is FOCUFDHKRJCQNS-VIQWUECVSA-N. The full InChI is InChI=1S/C19H27NO/c21-17-15-18(20-13-5-2-6-14-20)9-11-19(17,12-10-18)16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2/t17-,18?,19?/m0/s1.
What are the key properties of (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol?
(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 11644901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).