2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol

C21H26N2O — CID 15115475

IUPAC2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H26N2O/c24-15-14-22-10-12-23(13-11-22)21-16-20(17-6-2-1-3-7-17)18-8-4-5-9-19(18)21/h1-9,20-21,24H,10-16H2
InChIKeyUAAUMFKLNOFEDU-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol

2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol (PubChem CID 15115475) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol
PubChem CID15115475
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C21H26N2O/c24-15-14-22-10-12-23(13-11-22)21-16-20(17-6-2-1-3-7-17)18-8-4-5-9-19(18)21/h1-9,20-21,24H,10-16H2
InChIKeyUAAUMFKLNOFEDU-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tefludazine
CID 71240
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-dimethyl-piperazin-1-yl}-ethanol
CID 10787324
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
1-(9H-Fluoren-9-yl)piperazine
CID 410205
(3R,4R)-1-[(2-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
CID 9983525
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
CID 10069224
(3R,4R)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
CID 10436105
(3R,4R)-1-[(4-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
CID 10481155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol (CID 15115475) is 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol?
The InChIKey is UAAUMFKLNOFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-15-14-22-10-12-23(13-11-22)21-16-20(17-6-2-1-3-7-17)18-8-4-5-9-19(18)21/h1-9,20-21,24H,10-16H2.
What are the key properties of 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol?
2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol has a molecular weight of 322.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 15115475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).