(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol

C22H27NO2 — CID 141082836

IUPAC(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C22H27NO2/c24-19(17-25-20-7-2-1-3-8-20)16-23-14-12-22(13-15-23)11-10-18-6-4-5-9-21(18)22/h1-9,19,24H,10-17H2/t19-/m0/s1
InChIKeyVPWOMHQRKBBORX-IBGZPJMESA-N
MW337.46 g/mol
LogP3.41
Rot. Bonds5

About (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol

(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol (PubChem CID 141082836) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
PubChem CID141082836
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C22H27NO2/c24-19(17-25-20-7-2-1-3-8-20)16-23-14-12-22(13-15-23)11-10-18-6-4-5-9-21(18)22/h1-9,19,24H,10-17H2/t19-/m0/s1
InChIKeyVPWOMHQRKBBORX-IBGZPJMESA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
1-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)-3-phenoxypropan-2-ol
CID 13476090
(2R)-1-phenoxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 97245429
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 154819244
1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-phenoxypropan-2-ol
CID 71879588
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol?
The IUPAC name of (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol (CID 141082836) is (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol?
The canonical SMILES for (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol is O[C@H](COc1ccccc1)CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol?
The InChIKey is VPWOMHQRKBBORX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO2/c24-19(17-25-20-7-2-1-3-8-20)16-23-14-12-22(13-15-23)11-10-18-6-4-5-9-21(18)22/h1-9,19,24H,10-17H2/t19-/m0/s1.
What are the key properties of (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol?
(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol has a molecular weight of 337.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol is sourced from PubChem (CID 141082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).