2-methyl-2-piperidin-4-ylpropanenitrile

C9H16N2 — CID 55270537

IUPAC2-methyl-2-piperidin-4-ylpropanenitrile
SMILESCC(C)(C#N)C1CCNCC1
InChIInChI=1S/C9H16N2/c1-9(2,7-10)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyCZCCYJJBCQXQTM-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-2-piperidin-4-ylpropanenitrile

2-methyl-2-piperidin-4-ylpropanenitrile (PubChem CID 55270537) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-2-piperidin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-piperidin-4-ylpropanenitrile
PubChem CID55270537
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-2-piperidin-4-ylpropanenitrile
SMILESCC(C)(C#N)C1CCNCC1
InChIInChI=1S/C9H16N2/c1-9(2,7-10)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyCZCCYJJBCQXQTM-UHFFFAOYSA-N
XLogP1.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-4-ylpropanenitrile?
The IUPAC name of 2-methyl-2-piperidin-4-ylpropanenitrile (CID 55270537) is 2-methyl-2-piperidin-4-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-piperidin-4-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-piperidin-4-ylpropanenitrile is CC(C)(C#N)C1CCNCC1.
What is the InChIKey of 2-methyl-2-piperidin-4-ylpropanenitrile?
The InChIKey is CZCCYJJBCQXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,7-10)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-4-ylpropanenitrile?
2-methyl-2-piperidin-4-ylpropanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-4-ylpropanenitrile is sourced from PubChem (CID 55270537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).