2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile

C10H17N5 — CID 25027336

IUPAC2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile
SMILESN#CCNCCN1CCN(CC#N)CC1
InChIInChI=1S/C10H17N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,3-10H2
InChIKeyOAQGZUFVSWKZJE-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.76
Rot. Bonds5

About 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile

2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile (PubChem CID 25027336) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile
PubChem CID25027336
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile
SMILESN#CCNCCN1CCN(CC#N)CC1
InChIInChI=1S/C10H17N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,3-10H2
InChIKeyOAQGZUFVSWKZJE-UHFFFAOYSA-N
XLogP-0.76
TPSA66.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile
CID 157308516
2-(4-hexylpiperazin-1-yl)acetonitrile
CID 55219659
4-[4-(cyanomethyl)piperazin-1-yl]-N-methylbutanamide
CID 63891643
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
CID 155330368
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile
CID 87226189
3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63337622
2-(azonan-1-yl)acetonitrile
CID 127001300
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile?
The IUPAC name of 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile (CID 25027336) is 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile?
The canonical SMILES for 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile is N#CCNCCN1CCN(CC#N)CC1.
What is the InChIKey of 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile?
The InChIKey is OAQGZUFVSWKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,3-10H2.
What are the key properties of 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile?
2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile has a molecular weight of 207.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile is sourced from PubChem (CID 25027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).