(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol

C20H23NO — CID 92855941

IUPAC(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
SMILESO[C@@]1([C@@H]2CCCCN2)C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C20H23NO/c22-20(19-12-6-7-13-21-19)14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)20/h1-5,8-11,17,19,21-22H,6-7,12-14H2/t17-,19-,20-/m0/s1
InChIKeyBVCSKXTWXLPCHL-IHPCNDPISA-N
MW293.41 g/mol
LogP3.55
Rot. Bonds2

About (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol

(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol (PubChem CID 92855941) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
PubChem CID92855941
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
SMILESO[C@@]1([C@@H]2CCCCN2)C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C20H23NO/c22-20(19-12-6-7-13-21-19)14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)20/h1-5,8-11,17,19,21-22H,6-7,12-14H2/t17-,19-,20-/m0/s1
InChIKeyBVCSKXTWXLPCHL-IHPCNDPISA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11427436
(2S)-2-phenylpiperidine
CID 10997356
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
CID 83034122
(1S,3R)-1-phenylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 15870810
1,3-diphenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 122232215
2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine
CID 90688343
1-(4-fluorophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029070
(2R)-2-(2-phenyl-1,3-dioxan-2-yl)piperidine
CID 125497415
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol
CID 125479548

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol (CID 92855941) is (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol is O[C@@]1([C@@H]2CCCCN2)C[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol?
The InChIKey is BVCSKXTWXLPCHL-IHPCNDPISA-N. The full InChI is InChI=1S/C20H23NO/c22-20(19-12-6-7-13-21-19)14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)20/h1-5,8-11,17,19,21-22H,6-7,12-14H2/t17-,19-,20-/m0/s1.
What are the key properties of (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol?
(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 92855941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).