2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol

C16H24N2O — CID 123188924

IUPAC2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol
SMILESOCC(C1C=CC=C2CCC=CC21)N1CCNCC1
InChIInChI=1S/C16H24N2O/c19-12-16(18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h2-3,5-7,14-17,19H,1,4,8-12H2
InChIKeyAUOAUZMIERKEAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.33
Rot. Bonds3

About 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol

2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol (PubChem CID 123188924) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol
PubChem CID123188924
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol
SMILESOCC(C1C=CC=C2CCC=CC21)N1CCNCC1
InChIInChI=1S/C16H24N2O/c19-12-16(18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h2-3,5-7,14-17,19H,1,4,8-12H2
InChIKeyAUOAUZMIERKEAF-UHFFFAOYSA-N
XLogP1.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol (CID 123188924) is 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol is OCC(C1C=CC=C2CCC=CC21)N1CCNCC1.
What is the InChIKey of 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol?
The InChIKey is AUOAUZMIERKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-12-16(18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h2-3,5-7,14-17,19H,1,4,8-12H2.
What are the key properties of 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol?
2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol has a molecular weight of 260.38 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 2-(1,5,6,8a-tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 123188924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).