cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine

C11H20N2O — CID 63977511

IUPACcyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(COC)CC1
InChIInChI=1S/C11H20N2O/c1-14-8-9-4-6-13(7-5-9)11(12)10-2-3-10/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyAMZNCIXMVAIRNR-VAWYXSNFSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds3

About cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine

cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine (PubChem CID 63977511) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine.

Molecular Properties

Compound Namecyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine
PubChem CID63977511
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(COC)CC1
InChIInChI=1S/C11H20N2O/c1-14-8-9-4-6-13(7-5-9)11(12)10-2-3-10/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyAMZNCIXMVAIRNR-VAWYXSNFSA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine?
The IUPAC name of cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine (CID 63977511) is cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine.
What is the SMILES notation for cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine?
The canonical SMILES for cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine is [H]/N=C(\C1CC1)N1CCC(COC)CC1.
What is the InChIKey of cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine?
The InChIKey is AMZNCIXMVAIRNR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-14-8-9-4-6-13(7-5-9)11(12)10-2-3-10/h9-10,12H,2-8H2,1H3/b12-11+.
What are the key properties of cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine?
cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine has a molecular weight of 196.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine is sourced from PubChem (CID 63977511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).