2-[(2R)-2-methylpiperazin-1-yl]propanenitrile

C8H15N3 — CID 82755717

IUPAC2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCNC[C@H]1C
InChIInChI=1S/C8H15N3/c1-7(5-9)11-4-3-10-6-8(11)2/h7-8,10H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyLIPWFVCYSQSEFK-BRFYHDHCSA-N
MW153.23 g/mol
LogP0.19
Rot. Bonds1

About 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile

2-[(2R)-2-methylpiperazin-1-yl]propanenitrile (PubChem CID 82755717) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
PubChem CID82755717
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCNC[C@H]1C
InChIInChI=1S/C8H15N3/c1-7(5-9)11-4-3-10-6-8(11)2/h7-8,10H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyLIPWFVCYSQSEFK-BRFYHDHCSA-N
XLogP0.19
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile?
The IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile (CID 82755717) is 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile is CC(C#N)N1CCNC[C@H]1C.
What is the InChIKey of 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile?
The InChIKey is LIPWFVCYSQSEFK-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(5-9)11-4-3-10-6-8(11)2/h7-8,10H,3-4,6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile?
2-[(2R)-2-methylpiperazin-1-yl]propanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperazin-1-yl]propanenitrile is sourced from PubChem (CID 82755717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).