2-(3,4-dimethylpiperazin-1-yl)acetonitrile

C8H15N3 — CID 63610363

IUPAC2-(3,4-dimethylpiperazin-1-yl)acetonitrile
SMILESCC1CN(CC#N)CCN1C
InChIInChI=1S/C8H15N3/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,4-7H2,1-2H3
InChIKeyOQFHXEBFZZKPGR-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.15
Rot. Bonds1

About 2-(3,4-dimethylpiperazin-1-yl)acetonitrile

2-(3,4-dimethylpiperazin-1-yl)acetonitrile (PubChem CID 63610363) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)acetonitrile
PubChem CID63610363
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)acetonitrile
SMILESCC1CN(CC#N)CCN1C
InChIInChI=1S/C8H15N3/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,4-7H2,1-2H3
InChIKeyOQFHXEBFZZKPGR-UHFFFAOYSA-N
XLogP0.15
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
3-[4-(2-cyanoethyl)-3-methylpiperazin-1-yl]propanenitrile
CID 522976
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetonitrile
CID 112734061
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile
CID 95333035
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)acetonitrile (CID 63610363) is 2-(3,4-dimethylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)acetonitrile is CC1CN(CC#N)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)acetonitrile?
The InChIKey is OQFHXEBFZZKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,4-7H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)acetonitrile?
2-(3,4-dimethylpiperazin-1-yl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 63610363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).