ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine

C10H24N2O2 — CID 168942701

IUPACethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine
SMILESCC.CN.CN1CCC(C=O)C(O)C1
InChIInChI=1S/C7H13NO2.C2H6.CH5N/c1-8-3-2-6(5-9)7(10)4-8;2*1-2/h5-7,10H,2-4H2,1H3;1-2H3;2H2,1H3
InChIKeySNIFJHFIVQPQBC-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.10
Rot. Bonds1

About ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine

ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine (PubChem CID 168942701) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine.

Molecular Properties

Compound Nameethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine
PubChem CID168942701
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Nameethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine
SMILESCC.CN.CN1CCC(C=O)C(O)C1
InChIInChI=1S/C7H13NO2.C2H6.CH5N/c1-8-3-2-6(5-9)7(10)4-8;2*1-2/h5-7,10H,2-4H2,1H3;1-2H3;2H2,1H3
InChIKeySNIFJHFIVQPQBC-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine?
The IUPAC name of ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine (CID 168942701) is ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine.
What is the SMILES notation for ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine?
The canonical SMILES for ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine is CC.CN.CN1CCC(C=O)C(O)C1.
What is the InChIKey of ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine?
The InChIKey is SNIFJHFIVQPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6.CH5N/c1-8-3-2-6(5-9)7(10)4-8;2*1-2/h5-7,10H,2-4H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine?
ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine has a molecular weight of 204.31 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine is sourced from PubChem (CID 168942701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).