2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol

C18H24N2O — CID 65462107

IUPAC2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N1CCNCC1(C)C
InChIInChI=1S/C18H24N2O/c1-13(20-11-10-19-12-18(20,2)3)15-9-8-14-6-4-5-7-16(14)17(15)21/h4-9,13,19,21H,10-12H2,1-3H3
InChIKeyNDRJSDGBDWVYNB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.29
Rot. Bonds2

About 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol

2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol (PubChem CID 65462107) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
PubChem CID65462107
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N1CCNCC1(C)C
InChIInChI=1S/C18H24N2O/c1-13(20-11-10-19-12-18(20,2)3)15-9-8-14-6-4-5-7-16(14)17(15)21/h4-9,13,19,21H,10-12H2,1-3H3
InChIKeyNDRJSDGBDWVYNB-UHFFFAOYSA-N
XLogP3.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol 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-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol (CID 65462107) is 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol is CC(c1ccc2ccccc2c1O)N1CCNCC1(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The InChIKey is NDRJSDGBDWVYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(20-11-10-19-12-18(20,2)3)15-9-8-14-6-4-5-7-16(14)17(15)21/h4-9,13,19,21H,10-12H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol is sourced from PubChem (CID 65462107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).