2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol

C16H25N3O — CID 82255773

IUPAC2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C16H25N3O/c20-12-11-19-9-7-18(8-10-19)6-4-14-1-2-16-15(13-14)3-5-17-16/h1-2,13,17,20H,3-12H2
InChIKeyKRYKHYATBSKKGO-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.81
Rot. Bonds5

About 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol

2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol (PubChem CID 82255773) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
PubChem CID82255773
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C16H25N3O/c20-12-11-19-9-7-18(8-10-19)6-4-14-1-2-16-15(13-14)3-5-17-16/h1-2,13,17,20H,3-12H2
InChIKeyKRYKHYATBSKKGO-UHFFFAOYSA-N
XLogP0.81
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 82255757
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 82255709
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol (CID 82255773) is 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol is OCCN1CCN(CCc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol?
The InChIKey is KRYKHYATBSKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-12-11-19-9-7-18(8-10-19)6-4-14-1-2-16-15(13-14)3-5-17-16/h1-2,13,17,20H,3-12H2.
What are the key properties of 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol?
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol has a molecular weight of 275.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 82255773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).