1-methylpiperazine-2-carbonitrile

C6H11N3 — CID 75356173

IUPAC1-methylpiperazine-2-carbonitrile
SMILESCN1CCNCC1C#N
InChIInChI=1S/C6H11N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-3,5H2,1H3
InChIKeyUVVVPHSDEZUWCT-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.59
Rot. Bonds

About 1-methylpiperazine-2-carbonitrile

1-methylpiperazine-2-carbonitrile (PubChem CID 75356173) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name1-methylpiperazine-2-carbonitrile
PubChem CID75356173
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-methylpiperazine-2-carbonitrile
SMILESCN1CCNCC1C#N
InChIInChI=1S/C6H11N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-3,5H2,1H3
InChIKeyUVVVPHSDEZUWCT-UHFFFAOYSA-N
XLogP-0.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpiperazine
CID 66057
2,5-Dimethylpiperazine
CID 7816
3-(Piperazin-1-yl)propanenitrile
CID 2052050
1-Isopropylpiperazine
CID 78013
2,5-Dimethylpiperazine, trans-
CID 220672
2,6-Dimethylpiperazine
CID 66056
Dimethylpiperazine
CID 198037
2-Methylpiperazine, (S)-
CID 2734219
rel-(2R,6S)-2,6-dimethylpiperazine
CID 6950261
2-Methylpiperazine, (R)-
CID 7330434
2-Ethylpiperazine
CID 14094188
(2S,5S)-2,5-dimethylpiperazine
CID 61380

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2-carbonitrile?
The IUPAC name of 1-methylpiperazine-2-carbonitrile (CID 75356173) is 1-methylpiperazine-2-carbonitrile.
What is the SMILES notation for 1-methylpiperazine-2-carbonitrile?
The canonical SMILES for 1-methylpiperazine-2-carbonitrile is CN1CCNCC1C#N.
What is the InChIKey of 1-methylpiperazine-2-carbonitrile?
The InChIKey is UVVVPHSDEZUWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-3,5H2,1H3.
What are the key properties of 1-methylpiperazine-2-carbonitrile?
1-methylpiperazine-2-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2-carbonitrile is sourced from PubChem (CID 75356173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).