1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

C13H24N2O — CID 102896015

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESC1CCC2(C1)CCC(CN1CCNCC1)O2
InChIInChI=1S/C13H24N2O/c1-2-5-13(4-1)6-3-12(16-13)11-15-9-7-14-8-10-15/h12,14H,1-11H2
InChIKeyYPSFHIVPBRTCLC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102896015) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102896015
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESC1CCC2(C1)CCC(CN1CCNCC1)O2
InChIInChI=1S/C13H24N2O/c1-2-5-13(4-1)6-3-12(16-13)11-15-9-7-14-8-10-15/h12,14H,1-11H2
InChIKeyYPSFHIVPBRTCLC-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102896015) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is C1CCC2(C1)CCC(CN1CCNCC1)O2.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is YPSFHIVPBRTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-5-13(4-1)6-3-12(16-13)11-15-9-7-14-8-10-15/h12,14H,1-11H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102896015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).