2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile

C15H20N2O — CID 43802879

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile
SMILESCc1cc(C(C#N)N2CCCCC2)cc(C)c1O
InChIInChI=1S/C15H20N2O/c1-11-8-13(9-12(2)15(11)18)14(10-16)17-6-4-3-5-7-17/h8-9,14,18H,3-7H2,1-2H3
InChIKeyONXIJUCMAMLVJF-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile

2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 43802879) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile
PubChem CID43802879
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile
SMILESCc1cc(C(C#N)N2CCCCC2)cc(C)c1O
InChIInChI=1S/C15H20N2O/c1-11-8-13(9-12(2)15(11)18)14(10-16)17-6-4-3-5-7-17/h8-9,14,18H,3-7H2,1-2H3
InChIKeyONXIJUCMAMLVJF-UHFFFAOYSA-N
XLogP3.06
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile (CID 43802879) is 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile is Cc1cc(C(C#N)N2CCCCC2)cc(C)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is ONXIJUCMAMLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-8-13(9-12(2)15(11)18)14(10-16)17-6-4-3-5-7-17/h8-9,14,18H,3-7H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile?
2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 43802879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).