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

C9H17N3 — CID 79085427

IUPAC1-(2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)CN1CCNCC1C#N
InChIInChI=1S/C9H17N3/c1-8(2)7-12-4-3-11-6-9(12)5-10/h8-9,11H,3-4,6-7H2,1-2H3
InChIKeyACLULGVDGMNHMO-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.44
Rot. Bonds2

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

1-(2-methylpropyl)piperazine-2-carbonitrile (PubChem CID 79085427) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)piperazine-2-carbonitrile
PubChem CID79085427
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(2-methylpropyl)piperazine-2-carbonitrile
SMILESCC(C)CN1CCNCC1C#N
InChIInChI=1S/C9H17N3/c1-8(2)7-12-4-3-11-6-9(12)5-10/h8-9,11H,3-4,6-7H2,1-2H3
InChIKeyACLULGVDGMNHMO-UHFFFAOYSA-N
XLogP0.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)piperazine-2-carbonitrile (CID 79085427) is 1-(2-methylpropyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)piperazine-2-carbonitrile is CC(C)CN1CCNCC1C#N.
What is the InChIKey of 1-(2-methylpropyl)piperazine-2-carbonitrile?
The InChIKey is ACLULGVDGMNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)7-12-4-3-11-6-9(12)5-10/h8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)piperazine-2-carbonitrile?
1-(2-methylpropyl)piperazine-2-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).