methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde

C15H26N2O2 — CID 145106893

IUPACmethanamine;methoxymethylbenzene;piperidine-1-carbaldehyde
SMILESCN.COCc1ccccc1.O=CN1CCCCC1
InChIInChI=1S/C8H10O.C6H11NO.CH5N/c1-9-7-8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7;1-2/h2-6H,7H2,1H3;6H,1-5H2;2H2,1H3
InChIKeyOOHRZKIQXYMDLI-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.04
Rot. Bonds3

About methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde

methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde (PubChem CID 145106893) has the molecular formula C15H26N2O2 and a molecular weight of 266.39 g/mol. Its IUPAC name is methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde.

Molecular Properties

Compound Namemethanamine;methoxymethylbenzene;piperidine-1-carbaldehyde
PubChem CID145106893
Molecular FormulaC15H26N2O2
Molecular Weight266.39 g/mol
Exact Mass266.20
IUPAC Namemethanamine;methoxymethylbenzene;piperidine-1-carbaldehyde
SMILESCN.COCc1ccccc1.O=CN1CCCCC1
InChIInChI=1S/C8H10O.C6H11NO.CH5N/c1-9-7-8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7;1-2/h2-6H,7H2,1H3;6H,1-5H2;2H2,1H3
InChIKeyOOHRZKIQXYMDLI-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanamine;methoxymethylbenzene;piperidine-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

methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
lithium;hydride;methoxymethylbenzene
CID 174456658
tert-butyl 2-(1-formylpiperidin-4-yl)pyrrolidine-1-carboxylate;methoxymethylbenzene
CID 144898884
ethane;methoxymethylbenzene;propane
CID 144561349
2-aminoacetic acid;butanal;methoxymethylbenzene
CID 155690078
benzyl piperidine-1-carboxylate
CID 158057698
benzyl N-piperidin-1-ylcarbamate
CID 3770567
methoxymethylbenzene;methyl acetate
CID 54330728
ethane;methoxymethylbenzene;3-pyridin-2-ylsulfanylazetidine-1-carbaldehyde
CID 142529758
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821

Frequently Asked Questions

What is the IUPAC name of methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde?
The IUPAC name of methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde (CID 145106893) is methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde.
What is the SMILES notation for methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde?
The canonical SMILES for methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde is CN.COCc1ccccc1.O=CN1CCCCC1.
What is the InChIKey of methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde?
The InChIKey is OOHRZKIQXYMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H11NO.CH5N/c1-9-7-8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7;1-2/h2-6H,7H2,1H3;6H,1-5H2;2H2,1H3.
What are the key properties of methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde?
methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde has a molecular weight of 266.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde is sourced from PubChem (CID 145106893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).