2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile

C12H20N2 — CID 117020468

IUPAC2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
SMILESC=CCN1CCC(CC#N)CC1(C)C
InChIInChI=1S/C12H20N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-6,8-10H2,2-3H3
InChIKeyAWEDSJNLKFEFLS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile

2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile (PubChem CID 117020468) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
PubChem CID117020468
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
SMILESC=CCN1CCC(CC#N)CC1(C)C
InChIInChI=1S/C12H20N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-6,8-10H2,2-3H3
InChIKeyAWEDSJNLKFEFLS-UHFFFAOYSA-N
XLogP2.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile (CID 117020468) is 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile is C=CCN1CCC(CC#N)CC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile?
The InChIKey is AWEDSJNLKFEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-6,8-10H2,2-3H3.
What are the key properties of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile?
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 117020468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).