2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile

C8H14N2O — CID 126990859

IUPAC2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CC(O)CCN1CC#N
InChIInChI=1S/C8H14N2O/c1-7-6-8(11)2-4-10(7)5-3-9/h7-8,11H,2,4-6H2,1H3
InChIKeyLBAGWIQZSUHFRP-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds1

About 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile

2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile (PubChem CID 126990859) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
PubChem CID126990859
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CC(O)CCN1CC#N
InChIInChI=1S/C8H14N2O/c1-7-6-8(11)2-4-10(7)5-3-9/h7-8,11H,2,4-6H2,1H3
InChIKeyLBAGWIQZSUHFRP-UHFFFAOYSA-N
XLogP0.36
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile (CID 126990859) is 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile is CC1CC(O)CCN1CC#N.
What is the InChIKey of 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile?
The InChIKey is LBAGWIQZSUHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7-6-8(11)2-4-10(7)5-3-9/h7-8,11H,2,4-6H2,1H3.
What are the key properties of 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile?
2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 126990859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).