1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol

C16H24N2O2 — CID 65449645

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CN1CCNCC1
InChIInChI=1S/C16H24N2O2/c19-15(11-18-8-6-17-7-9-18)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,17,19H,1-3,6-9,11-12H2
InChIKeyANUJHKGJLVIENZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.82
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449645) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
PubChem CID65449645
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CN1CCNCC1
InChIInChI=1S/C16H24N2O2/c19-15(11-18-8-6-17-7-9-18)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,17,19H,1-3,6-9,11-12H2
InChIKeyANUJHKGJLVIENZ-UHFFFAOYSA-N
XLogP0.82
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride
CID 2919190
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 7353270
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 1094983
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448136
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;hydrochloride
CID 16806975
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1324667
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol (CID 65449645) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol is OC(COc1ccc2c(c1)CCC2)CN1CCNCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is ANUJHKGJLVIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(11-18-8-6-17-7-9-18)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,17,19H,1-3,6-9,11-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).