2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile

C13H23N3O — CID 79927837

IUPAC2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile
SMILESCC1(C)CC(C#N)(N2CCNCC2)C(C)(C)O1
InChIInChI=1S/C13H23N3O/c1-11(2)9-13(10-14,12(3,4)17-11)16-7-5-15-6-8-16/h15H,5-9H2,1-4H3
InChIKeyLBLXVARRBTYDAW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds1

About 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile

2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile (PubChem CID 79927837) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile
PubChem CID79927837
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile
SMILESCC1(C)CC(C#N)(N2CCNCC2)C(C)(C)O1
InChIInChI=1S/C13H23N3O/c1-11(2)9-13(10-14,12(3,4)17-11)16-7-5-15-6-8-16/h15H,5-9H2,1-4H3
InChIKeyLBLXVARRBTYDAW-UHFFFAOYSA-N
XLogP1.13
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile?
The IUPAC name of 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile (CID 79927837) is 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile?
The canonical SMILES for 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile is CC1(C)CC(C#N)(N2CCNCC2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile?
The InChIKey is LBLXVARRBTYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)9-13(10-14,12(3,4)17-11)16-7-5-15-6-8-16/h15H,5-9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile?
2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile is sourced from PubChem (CID 79927837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).