2-(1,2-dimethylpiperidin-4-yl)acetonitrile

C9H16N2 — CID 83845549

IUPAC2-(1,2-dimethylpiperidin-4-yl)acetonitrile
SMILESCC1CC(CC#N)CCN1C
InChIInChI=1S/C9H16N2/c1-8-7-9(3-5-10)4-6-11(8)2/h8-9H,3-4,6-7H2,1-2H3
InChIKeyCBUDFQCJLVJTLG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds1

About 2-(1,2-dimethylpiperidin-4-yl)acetonitrile

2-(1,2-dimethylpiperidin-4-yl)acetonitrile (PubChem CID 83845549) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1,2-dimethylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2-dimethylpiperidin-4-yl)acetonitrile
PubChem CID83845549
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(1,2-dimethylpiperidin-4-yl)acetonitrile
SMILESCC1CC(CC#N)CCN1C
InChIInChI=1S/C9H16N2/c1-8-7-9(3-5-10)4-6-11(8)2/h8-9H,3-4,6-7H2,1-2H3
InChIKeyCBUDFQCJLVJTLG-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1,2-dimethylpiperidin-4-yl)acetonitrile (CID 83845549) is 2-(1,2-dimethylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1,2-dimethylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1,2-dimethylpiperidin-4-yl)acetonitrile is CC1CC(CC#N)CCN1C.
What is the InChIKey of 2-(1,2-dimethylpiperidin-4-yl)acetonitrile?
The InChIKey is CBUDFQCJLVJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-7-9(3-5-10)4-6-11(8)2/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(1,2-dimethylpiperidin-4-yl)acetonitrile?
2-(1,2-dimethylpiperidin-4-yl)acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 83845549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).