5-tert-butylpiperazine-2-carbonitrile

C9H17N3 — CID 154601249

IUPAC5-tert-butylpiperazine-2-carbonitrile
SMILESCC(C)(C)C1CNC(C#N)CN1
InChIInChI=1S/C9H17N3/c1-9(2,3)8-6-11-7(4-10)5-12-8/h7-8,11-12H,5-6H2,1-3H3
InChIKeyWZIOYDQKNZAUQE-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.49
Rot. Bonds

About 5-tert-butylpiperazine-2-carbonitrile

5-tert-butylpiperazine-2-carbonitrile (PubChem CID 154601249) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-tert-butylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name5-tert-butylpiperazine-2-carbonitrile
PubChem CID154601249
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-tert-butylpiperazine-2-carbonitrile
SMILESCC(C)(C)C1CNC(C#N)CN1
InChIInChI=1S/C9H17N3/c1-9(2,3)8-6-11-7(4-10)5-12-8/h7-8,11-12H,5-6H2,1-3H3
InChIKeyWZIOYDQKNZAUQE-UHFFFAOYSA-N
XLogP0.49
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butylpiperazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butylpyrazolidine-3-carbonitrile
CID 140634582
2-tert-butyl-5-chloropiperazine
CID 154601268
2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
CID 154601178
2-tert-butyl-5-(2-methoxyethoxy)piperazine
CID 154601269
(5-tert-butylpyrrolidin-3-yl)-methylphosphane
CID 146297937
(4S)-4-fluoropyrrolidine-2-carbonitrile;molecular hydrogen
CID 177001376
5-tert-butyl-2-methylmorpholine
CID 82280213
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
2-tert-butyl-5-(cyclobutylmethoxy)piperazine
CID 154601187
tert-butyl (2R,5R)-5-cyano-2-methylpiperazine-1-carboxylate
CID 172908127
2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 154601254
aziridine-2-carbonitrile;4-phenylbenzoic acid
CID 88741097

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpiperazine-2-carbonitrile?
The IUPAC name of 5-tert-butylpiperazine-2-carbonitrile (CID 154601249) is 5-tert-butylpiperazine-2-carbonitrile.
What is the SMILES notation for 5-tert-butylpiperazine-2-carbonitrile?
The canonical SMILES for 5-tert-butylpiperazine-2-carbonitrile is CC(C)(C)C1CNC(C#N)CN1.
What is the InChIKey of 5-tert-butylpiperazine-2-carbonitrile?
The InChIKey is WZIOYDQKNZAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)8-6-11-7(4-10)5-12-8/h7-8,11-12H,5-6H2,1-3H3.
What are the key properties of 5-tert-butylpiperazine-2-carbonitrile?
5-tert-butylpiperazine-2-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpiperazine-2-carbonitrile is sourced from PubChem (CID 154601249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).