2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

C15H21BrN2O — CID 171525185

IUPAC2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN([C@@H]2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C15H21BrN2O/c16-13-2-3-14-12(11-13)1-4-15(14)18-7-5-17(6-8-18)9-10-19/h2-3,11,15,19H,1,4-10H2/t15-/m1/s1
InChIKeyOMAKWOKILWAOSO-OAHLLOKOSA-N
MW325.25 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (PubChem CID 171525185) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
PubChem CID171525185
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN([C@@H]2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C15H21BrN2O/c16-13-2-3-14-12(11-13)1-4-15(14)18-7-5-17(6-8-18)9-10-19/h2-3,11,15,19H,1,4-10H2/t15-/m1/s1
InChIKeyOMAKWOKILWAOSO-OAHLLOKOSA-N
XLogP2.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (CID 171525185) is 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is OCCN1CCN([C@@H]2CCc3cc(Br)ccc32)CC1.
What is the InChIKey of 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The InChIKey is OMAKWOKILWAOSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-2-3-14-12(11-13)1-4-15(14)18-7-5-17(6-8-18)9-10-19/h2-3,11,15,19H,1,4-10H2/t15-/m1/s1.
What are the key properties of 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol has a molecular weight of 325.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 171525185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).