2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane

C11H22N2 — CID 177158292

IUPAC2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane
SMILESCC.CC1CC(CC#N)CN(C)C1
InChIInChI=1S/C9H16N2.C2H6/c1-8-5-9(3-4-10)7-11(2)6-8;1-2/h8-9H,3,5-7H2,1-2H3;1-2H3
InChIKeyPRUHKZWHIAPNIA-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.51
Rot. Bonds1

About 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane

2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane (PubChem CID 177158292) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane
PubChem CID177158292
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane
SMILESCC.CC1CC(CC#N)CN(C)C1
InChIInChI=1S/C9H16N2.C2H6/c1-8-5-9(3-4-10)7-11(2)6-8;1-2/h8-9H,3,5-7H2,1-2H3;1-2H3
InChIKeyPRUHKZWHIAPNIA-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane?
The IUPAC name of 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane (CID 177158292) is 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane?
The canonical SMILES for 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane is CC.CC1CC(CC#N)CN(C)C1.
What is the InChIKey of 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane?
The InChIKey is PRUHKZWHIAPNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-8-5-9(3-4-10)7-11(2)6-8;1-2/h8-9H,3,5-7H2,1-2H3;1-2H3.
What are the key properties of 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane?
2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane has a molecular weight of 182.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane is sourced from PubChem (CID 177158292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).