8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol

C15H20N2O — CID 22115730

IUPAC8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol
SMILESCN1CCN(C2=c3cc(O)ccc3=CCC2)CC1
InChIInChI=1S/C15H20N2O/c1-16-7-9-17(10-8-16)15-4-2-3-12-5-6-13(18)11-14(12)15/h3,5-6,11,18H,2,4,7-10H2,1H3
InChIKeySZNRMVQTLCELGL-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.32
Rot. Bonds1

About 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol

8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol (PubChem CID 22115730) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol
PubChem CID22115730
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol
SMILESCN1CCN(C2=c3cc(O)ccc3=CCC2)CC1
InChIInChI=1S/C15H20N2O/c1-16-7-9-17(10-8-16)15-4-2-3-12-5-6-13(18)11-14(12)15/h3,5-6,11,18H,2,4,7-10H2,1H3
InChIKeySZNRMVQTLCELGL-UHFFFAOYSA-N
XLogP0.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol (CID 22115730) is 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol is CN1CCN(C2=c3cc(O)ccc3=CCC2)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol?
The InChIKey is SZNRMVQTLCELGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-7-9-17(10-8-16)15-4-2-3-12-5-6-13(18)11-14(12)15/h3,5-6,11,18H,2,4,7-10H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol?
8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol has a molecular weight of 244.34 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-6,7-dihydronaphthalen-2-ol is sourced from PubChem (CID 22115730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).