9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane

C16H31N3 — CID 171641603

IUPAC9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCCN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16/h15,17H,2-14H2,1H3
InChIKeyQYJHRHNGDKUSLA-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds2

About 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane

9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane (PubChem CID 171641603) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
PubChem CID171641603
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCCN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16/h15,17H,2-14H2,1H3
InChIKeyQYJHRHNGDKUSLA-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane (CID 171641603) is 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane is CCN1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The InChIKey is QYJHRHNGDKUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16/h15,17H,2-14H2,1H3.
What are the key properties of 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane has a molecular weight of 265.44 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 171641603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).