2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile

C13H23N3O — CID 103134211

IUPAC2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile
SMILESCC1CCC(CN2CCN(C(C)C#N)CC2)O1
InChIInChI=1S/C13H23N3O/c1-11(9-14)16-7-5-15(6-8-16)10-13-4-3-12(2)17-13/h11-13H,3-8,10H2,1-2H3
InChIKeyRYYGKSVGUORGKH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.08
Rot. Bonds3

About 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile

2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile (PubChem CID 103134211) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile
PubChem CID103134211
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile
SMILESCC1CCC(CN2CCN(C(C)C#N)CC2)O1
InChIInChI=1S/C13H23N3O/c1-11(9-14)16-7-5-15(6-8-16)10-13-4-3-12(2)17-13/h11-13H,3-8,10H2,1-2H3
InChIKeyRYYGKSVGUORGKH-UHFFFAOYSA-N
XLogP1.08
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile (CID 103134211) is 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile is CC1CCC(CN2CCN(C(C)C#N)CC2)O1.
What is the InChIKey of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile?
The InChIKey is RYYGKSVGUORGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(9-14)16-7-5-15(6-8-16)10-13-4-3-12(2)17-13/h11-13H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile?
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile has a molecular weight of 237.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 103134211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).