1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile

C10H19N3O — CID 79084934

IUPAC1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
SMILESCC(C)OCCN1CCNCC1C#N
InChIInChI=1S/C10H19N3O/c1-9(2)14-6-5-13-4-3-12-8-10(13)7-11/h9-10,12H,3-6,8H2,1-2H3
InChIKeyWBXOVZOJUUBANB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile

1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile (PubChem CID 79084934) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
PubChem CID79084934
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
SMILESCC(C)OCCN1CCNCC1C#N
InChIInChI=1S/C10H19N3O/c1-9(2)14-6-5-13-4-3-12-8-10(13)7-11/h9-10,12H,3-6,8H2,1-2H3
InChIKeyWBXOVZOJUUBANB-UHFFFAOYSA-N
XLogP0.21
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile (CID 79084934) is 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile is CC(C)OCCN1CCNCC1C#N.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile?
The InChIKey is WBXOVZOJUUBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)14-6-5-13-4-3-12-8-10(13)7-11/h9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile?
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79084934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).