1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol

C17H22N2O — CID 700907

IUPAC1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol
SMILESCCN1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-2-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20/h3-8,20H,2,9-13H2,1H3
InChIKeyJYMYVEBUGJDRMF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.68
Rot. Bonds3

About 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol

1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol (PubChem CID 700907) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol
PubChem CID700907
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol
SMILESCCN1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-2-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20/h3-8,20H,2,9-13H2,1H3
InChIKeyJYMYVEBUGJDRMF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol (CID 700907) is 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol is CCN1CCN(Cc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is JYMYVEBUGJDRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20/h3-8,20H,2,9-13H2,1H3.
What are the key properties of 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol?
1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperazin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 700907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).