1-(4-oxaspiro[2.5]octan-7-yl)piperazine

C11H20N2O — CID 82399396

IUPAC1-(4-oxaspiro[2.5]octan-7-yl)piperazine
SMILESC1CN(C2CCOC3(CC3)C2)CCN1
InChIInChI=1S/C11H20N2O/c1-8-14-11(2-3-11)9-10(1)13-6-4-12-5-7-13/h10,12H,1-9H2
InChIKeyOVWXAIMCRUENHI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds1

About 1-(4-oxaspiro[2.5]octan-7-yl)piperazine

1-(4-oxaspiro[2.5]octan-7-yl)piperazine (PubChem CID 82399396) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(4-oxaspiro[2.5]octan-7-yl)piperazine.

Molecular Properties

Compound Name1-(4-oxaspiro[2.5]octan-7-yl)piperazine
PubChem CID82399396
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(4-oxaspiro[2.5]octan-7-yl)piperazine
SMILESC1CN(C2CCOC3(CC3)C2)CCN1
InChIInChI=1S/C11H20N2O/c1-8-14-11(2-3-11)9-10(1)13-6-4-12-5-7-13/h10,12H,1-9H2
InChIKeyOVWXAIMCRUENHI-UHFFFAOYSA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154920877
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
CID 154920746
2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902972
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
CID 79901478
4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
CID 154920865
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxaspiro[2.5]octan-7-yl)piperazine?
The IUPAC name of 1-(4-oxaspiro[2.5]octan-7-yl)piperazine (CID 82399396) is 1-(4-oxaspiro[2.5]octan-7-yl)piperazine.
What is the SMILES notation for 1-(4-oxaspiro[2.5]octan-7-yl)piperazine?
The canonical SMILES for 1-(4-oxaspiro[2.5]octan-7-yl)piperazine is C1CN(C2CCOC3(CC3)C2)CCN1.
What is the InChIKey of 1-(4-oxaspiro[2.5]octan-7-yl)piperazine?
The InChIKey is OVWXAIMCRUENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-14-11(2-3-11)9-10(1)13-6-4-12-5-7-13/h10,12H,1-9H2.
What are the key properties of 1-(4-oxaspiro[2.5]octan-7-yl)piperazine?
1-(4-oxaspiro[2.5]octan-7-yl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxaspiro[2.5]octan-7-yl)piperazine is sourced from PubChem (CID 82399396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).