5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C17H26N2O — CID 82980775

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC1CN(C2CCCc3c(O)cccc32)CCN1C
InChIInChI=1S/C17H26N2O/c1-3-13-12-19(11-10-18(13)2)16-8-4-7-15-14(16)6-5-9-17(15)20/h5-6,9,13,16,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyNPWIIUSVZDUMQG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds2

About 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82980775) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82980775
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC1CN(C2CCCc3c(O)cccc32)CCN1C
InChIInChI=1S/C17H26N2O/c1-3-13-12-19(11-10-18(13)2)16-8-4-7-15-14(16)6-5-9-17(15)20/h5-6,9,13,16,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyNPWIIUSVZDUMQG-UHFFFAOYSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82980775) is 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is CCC1CN(C2CCCc3c(O)cccc32)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NPWIIUSVZDUMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13-12-19(11-10-18(13)2)16-8-4-7-15-14(16)6-5-9-17(15)20/h5-6,9,13,16,20H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82980775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).