1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol

C17H22N2O — CID 175567947

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
SMILESCN1CCN(CCc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-18-10-12-19(13-11-18)9-8-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,20H,8-13H2,1H3
InChIKeyAQOOKNSZCODBRF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol

1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol (PubChem CID 175567947) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
PubChem CID175567947
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
SMILESCN1CCN(CCc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-18-10-12-19(13-11-18)9-8-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,20H,8-13H2,1H3
InChIKeyAQOOKNSZCODBRF-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol (CID 175567947) is 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol is CN1CCN(CCc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol?
The InChIKey is AQOOKNSZCODBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-10-12-19(13-11-18)9-8-16-15-5-3-2-4-14(15)6-7-17(16)20/h2-7,20H,8-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol?
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol is sourced from PubChem (CID 175567947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).