trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol

C19H27NO — CID 10334147

IUPACtrans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1
InChIKeyOZRJHGKKLPXGID-QZTJIDSGSA-N
MW285.43 g/mol
LogP3.27
Rot. Bonds1

About trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol

trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol (PubChem CID 10334147) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol
PubChem CID10334147
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Nametrans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1
InChIKeyOZRJHGKKLPXGID-QZTJIDSGSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol (CID 10334147) is trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol?
The InChIKey is OZRJHGKKLPXGID-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol?
trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylcyclohexan-1-ol is sourced from PubChem (CID 10334147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).