(2S)-2,6-dimethylpiperazine-1-carbaldehyde

C7H14N2O — CID 143975472

IUPAC(2S)-2,6-dimethylpiperazine-1-carbaldehyde
SMILESCC1CNC[C@H](C)N1C=O
InChIInChI=1S/C7H14N2O/c1-6-3-8-4-7(2)9(6)5-10/h5-8H,3-4H2,1-2H3/t6-,7?/m0/s1
InChIKeyQUZGBWFMQLHWNQ-PKPIPKONSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds1

About (2S)-2,6-dimethylpiperazine-1-carbaldehyde

(2S)-2,6-dimethylpiperazine-1-carbaldehyde (PubChem CID 143975472) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2,6-dimethylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-2,6-dimethylpiperazine-1-carbaldehyde
PubChem CID143975472
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2S)-2,6-dimethylpiperazine-1-carbaldehyde
SMILESCC1CNC[C@H](C)N1C=O
InChIInChI=1S/C7H14N2O/c1-6-3-8-4-7(2)9(6)5-10/h5-8H,3-4H2,1-2H3/t6-,7?/m0/s1
InChIKeyQUZGBWFMQLHWNQ-PKPIPKONSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-dimethylpiperazine-1-carbaldehyde?
The IUPAC name of (2S)-2,6-dimethylpiperazine-1-carbaldehyde (CID 143975472) is (2S)-2,6-dimethylpiperazine-1-carbaldehyde.
What is the SMILES notation for (2S)-2,6-dimethylpiperazine-1-carbaldehyde?
The canonical SMILES for (2S)-2,6-dimethylpiperazine-1-carbaldehyde is CC1CNC[C@H](C)N1C=O.
What is the InChIKey of (2S)-2,6-dimethylpiperazine-1-carbaldehyde?
The InChIKey is QUZGBWFMQLHWNQ-PKPIPKONSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-3-8-4-7(2)9(6)5-10/h5-8H,3-4H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (2S)-2,6-dimethylpiperazine-1-carbaldehyde?
(2S)-2,6-dimethylpiperazine-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-dimethylpiperazine-1-carbaldehyde is sourced from PubChem (CID 143975472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).