1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile

C11H19N3O — CID 103136172

IUPAC1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile
SMILESCC1CCC(CN2CCNCC2C#N)O1
InChIInChI=1S/C11H19N3O/c1-9-2-3-11(15-9)8-14-5-4-13-7-10(14)6-12/h9-11,13H,2-5,7-8H2,1H3
InChIKeyVCAIKSSBUSEIQJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.35
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile

1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile (PubChem CID 103136172) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile
PubChem CID103136172
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile
SMILESCC1CCC(CN2CCNCC2C#N)O1
InChIInChI=1S/C11H19N3O/c1-9-2-3-11(15-9)8-14-5-4-13-7-10(14)6-12/h9-11,13H,2-5,7-8H2,1H3
InChIKeyVCAIKSSBUSEIQJ-UHFFFAOYSA-N
XLogP0.35
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile (CID 103136172) is 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile is CC1CCC(CN2CCNCC2C#N)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is VCAIKSSBUSEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-2-3-11(15-9)8-14-5-4-13-7-10(14)6-12/h9-11,13H,2-5,7-8H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile?
1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 103136172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).