1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile

C9H17N3O — CID 79085872

IUPAC1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)(O)CN1CCNCC1C#N
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-12-4-3-11-6-8(12)5-10/h8,11,13H,3-4,6-7H2,1-2H3
InChIKeyMHIHGCVXBCYBBX-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.45
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile

1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile (PubChem CID 79085872) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
PubChem CID79085872
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)(O)CN1CCNCC1C#N
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-12-4-3-11-6-8(12)5-10/h8,11,13H,3-4,6-7H2,1-2H3
InChIKeyMHIHGCVXBCYBBX-UHFFFAOYSA-N
XLogP-0.45
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile (CID 79085872) is 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile is CC(C)(O)CN1CCNCC1C#N.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile?
The InChIKey is MHIHGCVXBCYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,13)7-12-4-3-11-6-8(12)5-10/h8,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile?
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).