1-ethyl-4-hydroxypiperidine-4-carbonitrile

C8H14N2O — CID 43436600

IUPAC1-ethyl-4-hydroxypiperidine-4-carbonitrile
SMILESCCN1CCC(O)(C#N)CC1
InChIInChI=1S/C8H14N2O/c1-2-10-5-3-8(11,7-9)4-6-10/h11H,2-6H2,1H3
InChIKeyHTAGIQJOORDOFL-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-4-hydroxypiperidine-4-carbonitrile

1-ethyl-4-hydroxypiperidine-4-carbonitrile (PubChem CID 43436600) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-4-hydroxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-hydroxypiperidine-4-carbonitrile
PubChem CID43436600
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethyl-4-hydroxypiperidine-4-carbonitrile
SMILESCCN1CCC(O)(C#N)CC1
InChIInChI=1S/C8H14N2O/c1-2-10-5-3-8(11,7-9)4-6-10/h11H,2-6H2,1H3
InChIKeyHTAGIQJOORDOFL-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': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxypiperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-hydroxypiperidine-4-carbonitrile (CID 43436600) is 1-ethyl-4-hydroxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-hydroxypiperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-hydroxypiperidine-4-carbonitrile is CCN1CCC(O)(C#N)CC1.
What is the InChIKey of 1-ethyl-4-hydroxypiperidine-4-carbonitrile?
The InChIKey is HTAGIQJOORDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-10-5-3-8(11,7-9)4-6-10/h11H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-hydroxypiperidine-4-carbonitrile?
1-ethyl-4-hydroxypiperidine-4-carbonitrile 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 1-ethyl-4-hydroxypiperidine-4-carbonitrile is sourced from PubChem (CID 43436600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).