(2S)-4-amino-2-methylpiperazine-1-carbaldehyde

C6H13N3O — CID 88935708

IUPAC(2S)-4-amino-2-methylpiperazine-1-carbaldehyde
SMILESC[C@H]1CN(N)CCN1C=O
InChIInChI=1S/C6H13N3O/c1-6-4-9(7)3-2-8(6)5-10/h5-6H,2-4,7H2,1H3/t6-/m0/s1
InChIKeyBZHNCMKXYZJWGS-LURJTMIESA-N
MW143.19 g/mol
LogP-0.98
Rot. Bonds1

About (2S)-4-amino-2-methylpiperazine-1-carbaldehyde

(2S)-4-amino-2-methylpiperazine-1-carbaldehyde (PubChem CID 88935708) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-4-amino-2-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-amino-2-methylpiperazine-1-carbaldehyde
PubChem CID88935708
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S)-4-amino-2-methylpiperazine-1-carbaldehyde
SMILESC[C@H]1CN(N)CCN1C=O
InChIInChI=1S/C6H13N3O/c1-6-4-9(7)3-2-8(6)5-10/h5-6H,2-4,7H2,1H3/t6-/m0/s1
InChIKeyBZHNCMKXYZJWGS-LURJTMIESA-N
XLogP-0.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde
CID 153411070
ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
2,3,4-trimethylpiperazine-1-carbaldehyde
CID 166140689
4-(4-chloro-3-methylphenyl)-2-methylpiperazine-1-carbaldehyde
CID 143766735
(2R)-4-[(Z)-3-imino-1-(methylideneamino)but-1-enyl]-2-methylpiperazine-1-carbaldehyde
CID 90453122
2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
CID 45115742
N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
CID 145331952
4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde
CID 144814331
CID 143964193
CID 143964193
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
CID 168940768
3,4-dimethylpiperidin-1-amine
CID 70033893
5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde
CID 100966274

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-methylpiperazine-1-carbaldehyde?
The IUPAC name of (2S)-4-amino-2-methylpiperazine-1-carbaldehyde (CID 88935708) is (2S)-4-amino-2-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for (2S)-4-amino-2-methylpiperazine-1-carbaldehyde?
The canonical SMILES for (2S)-4-amino-2-methylpiperazine-1-carbaldehyde is C[C@H]1CN(N)CCN1C=O.
What is the InChIKey of (2S)-4-amino-2-methylpiperazine-1-carbaldehyde?
The InChIKey is BZHNCMKXYZJWGS-LURJTMIESA-N. The full InChI is InChI=1S/C6H13N3O/c1-6-4-9(7)3-2-8(6)5-10/h5-6H,2-4,7H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-methylpiperazine-1-carbaldehyde?
(2S)-4-amino-2-methylpiperazine-1-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 88935708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).