5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol

C15H22N2O — CID 117368753

IUPAC5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(CCN2CCNCC2)ccc2c1CCC2
InChIInChI=1S/C15H22N2O/c18-15-13(5-4-12-2-1-3-14(12)15)6-9-17-10-7-16-8-11-17/h4-5,16,18H,1-3,6-11H2
InChIKeyPTRJXGVOHODRPY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.33
Rot. Bonds3

About 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol

5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 117368753) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
PubChem CID117368753
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(CCN2CCNCC2)ccc2c1CCC2
InChIInChI=1S/C15H22N2O/c18-15-13(5-4-12-2-1-3-14(12)15)6-9-17-10-7-16-8-11-17/h4-5,16,18H,1-3,6-11H2
InChIKeyPTRJXGVOHODRPY-UHFFFAOYSA-N
XLogP1.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117475508
3-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117468863
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
CID 115006371
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol (CID 117368753) is 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol is Oc1c(CCN2CCNCC2)ccc2c1CCC2.
What is the InChIKey of 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PTRJXGVOHODRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-13(5-4-12-2-1-3-14(12)15)6-9-17-10-7-16-8-11-17/h4-5,16,18H,1-3,6-11H2.
What are the key properties of 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol?
5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 246.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 117368753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).