1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine

C11H20N2O2 — CID 104762318

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1(OC)CCOC1
InChIInChI=1S/C11H20N2O2/c1-14-11(5-7-15-9-11)8-13-6-3-2-4-10(13)12/h12H,2-9H2,1H3/b12-10+
InChIKeyHTLPYAMASMDTEJ-ZRDIBKRKSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine

1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine (PubChem CID 104762318) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine
PubChem CID104762318
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1(OC)CCOC1
InChIInChI=1S/C11H20N2O2/c1-14-11(5-7-15-9-11)8-13-6-3-2-4-10(13)12/h12H,2-9H2,1H3/b12-10+
InChIKeyHTLPYAMASMDTEJ-ZRDIBKRKSA-N
XLogP1.26
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine 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

Morpholin-4-yl(oxolan-3-yl)methanimine
CID 65329018
1-[(2-Methyloxolan-2-yl)methyl]piperidin-2-imine
CID 80177738
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
1-[(3-Methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine
CID 104762316
1-(3-Methyloxolan-3-yl)piperidin-2-imine
CID 116163829
(4-Methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
CID 116780134
(4-Ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
CID 116780137

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine (CID 104762318) is 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine is [H]/N=C1\CCCCN1CC1(OC)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine?
The InChIKey is HTLPYAMASMDTEJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-14-11(5-7-15-9-11)8-13-6-3-2-4-10(13)12/h12H,2-9H2,1H3/b12-10+.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine?
1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine has a molecular weight of 212.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-imine is sourced from PubChem (CID 104762318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).