(2S)-4-methanidyl-1,2-dimethylpiperazine

C7H15N2- — CID 88553482

IUPAC(2S)-4-methanidyl-1,2-dimethylpiperazine
SMILES[CH2-]N1CCN(C)[C@@H](C)C1
InChIInChI=1S/C7H15N2/c1-7-6-8(2)4-5-9(7)3/h7H,2,4-6H2,1,3H3/q-1/t7-/m0/s1
InChIKeyONZJLZCBVGJILL-ZETCQYMHSA-N
MW127.21 g/mol
LogP0.41
Rot. Bonds

About (2S)-4-methanidyl-1,2-dimethylpiperazine

(2S)-4-methanidyl-1,2-dimethylpiperazine (PubChem CID 88553482) has the molecular formula C7H15N2- and a molecular weight of 127.21 g/mol. Its IUPAC name is (2S)-4-methanidyl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2S)-4-methanidyl-1,2-dimethylpiperazine
PubChem CID88553482
Molecular FormulaC7H15N2-
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name(2S)-4-methanidyl-1,2-dimethylpiperazine
SMILES[CH2-]N1CCN(C)[C@@H](C)C1
InChIInChI=1S/C7H15N2/c1-7-6-8(2)4-5-9(7)3/h7H,2,4-6H2,1,3H3/q-1/t7-/m0/s1
InChIKeyONZJLZCBVGJILL-ZETCQYMHSA-N
XLogP0.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethylpiperazine
CID 7818
1,2,4-Trimethylpiperazine
CID 98933
1,4-Diisopropylpiperazine
CID 204266
1,4-Piperazinediethanamine, beta,beta'-dimethyl-
CID 3086049
(2R)-1,2,4-Trimethylpiperazine
CID 12659078
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-Methyl-4-propyl-piperazine
CID 12566798
1-Methylpiperazin-4-ide
CID 141792419
1-(2-Fluoropropyl)-4-propan-2-ylpiperazine
CID 58366831
1,4-Dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
(2S)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098816
(2R)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098821

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methanidyl-1,2-dimethylpiperazine?
The IUPAC name of (2S)-4-methanidyl-1,2-dimethylpiperazine (CID 88553482) is (2S)-4-methanidyl-1,2-dimethylpiperazine.
What is the SMILES notation for (2S)-4-methanidyl-1,2-dimethylpiperazine?
The canonical SMILES for (2S)-4-methanidyl-1,2-dimethylpiperazine is [CH2-]N1CCN(C)[C@@H](C)C1.
What is the InChIKey of (2S)-4-methanidyl-1,2-dimethylpiperazine?
The InChIKey is ONZJLZCBVGJILL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15N2/c1-7-6-8(2)4-5-9(7)3/h7H,2,4-6H2,1,3H3/q-1/t7-/m0/s1.
What are the key properties of (2S)-4-methanidyl-1,2-dimethylpiperazine?
(2S)-4-methanidyl-1,2-dimethylpiperazine has a molecular weight of 127.21 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methanidyl-1,2-dimethylpiperazine is sourced from PubChem (CID 88553482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).