1-(2-hydroxyethyl)piperazine-2-carbonitrile

C7H13N3O — CID 79085109

IUPAC1-(2-hydroxyethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCO
InChIInChI=1S/C7H13N3O/c8-5-7-6-9-1-2-10(7)3-4-11/h7,9,11H,1-4,6H2
InChIKeyPDVRQQIFYQUWLY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.22
Rot. Bonds2

About 1-(2-hydroxyethyl)piperazine-2-carbonitrile

1-(2-hydroxyethyl)piperazine-2-carbonitrile (PubChem CID 79085109) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)piperazine-2-carbonitrile
PubChem CID79085109
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-hydroxyethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCO
InChIInChI=1S/C7H13N3O/c8-5-7-6-9-1-2-10(7)3-4-11/h7,9,11H,1-4,6H2
InChIKeyPDVRQQIFYQUWLY-UHFFFAOYSA-N
XLogP-1.22
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)piperazine-2-carbonitrile (CID 79085109) is 1-(2-hydroxyethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)piperazine-2-carbonitrile is N#CC1CNCCN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)piperazine-2-carbonitrile?
The InChIKey is PDVRQQIFYQUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-5-7-6-9-1-2-10(7)3-4-11/h7,9,11H,1-4,6H2.
What are the key properties of 1-(2-hydroxyethyl)piperazine-2-carbonitrile?
1-(2-hydroxyethyl)piperazine-2-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).