(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde

C8H16N2O2 — CID 153411070

IUPAC(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde
SMILESC[C@@H]1CN(CCO)CCN1C=O
InChIInChI=1S/C8H16N2O2/c1-8-6-9(4-5-11)2-3-10(8)7-12/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyWRDLBTTWAINLGJ-MRVPVSSYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds3

About (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde

(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde (PubChem CID 153411070) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde
PubChem CID153411070
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde
SMILESC[C@@H]1CN(CCO)CCN1C=O
InChIInChI=1S/C8H16N2O2/c1-8-6-9(4-5-11)2-3-10(8)7-12/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyWRDLBTTWAINLGJ-MRVPVSSYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
(2S)-4-amino-2-methylpiperazine-1-carbaldehyde
CID 88935708
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 67211888
2-(3,5-dimethyl-4-nitrosopiperazin-1-yl)ethanol
CID 87376207
N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide
CID 154742967
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 99827529
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-(8-methyl-6-azaspiro[2.5]octan-6-yl)ethanol
CID 83959936
2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
CID 126993434

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde?
The IUPAC name of (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde (CID 153411070) is (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde?
The canonical SMILES for (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde is C[C@@H]1CN(CCO)CCN1C=O.
What is the InChIKey of (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde?
The InChIKey is WRDLBTTWAINLGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8-6-9(4-5-11)2-3-10(8)7-12/h7-8,11H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde?
(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde has a molecular weight of 172.23 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 153411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).