cyclopropyl-(4-methoxypiperidin-1-yl)methanimine

C10H18N2O — CID 63175529

IUPACcyclopropyl-(4-methoxypiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(OC)CC1
InChIInChI=1S/C10H18N2O/c1-13-9-4-6-12(7-5-9)10(11)8-2-3-8/h8-9,11H,2-7H2,1H3/b11-10+
InChIKeyWREMCBRJPRKTAG-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.48
Rot. Bonds2

About cyclopropyl-(4-methoxypiperidin-1-yl)methanimine

cyclopropyl-(4-methoxypiperidin-1-yl)methanimine (PubChem CID 63175529) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is cyclopropyl-(4-methoxypiperidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(4-methoxypiperidin-1-yl)methanimine
PubChem CID63175529
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namecyclopropyl-(4-methoxypiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(OC)CC1
InChIInChI=1S/C10H18N2O/c1-13-9-4-6-12(7-5-9)10(11)8-2-3-8/h8-9,11H,2-7H2,1H3/b11-10+
InChIKeyWREMCBRJPRKTAG-ZHACJKMWSA-N
XLogP1.48
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.48
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-methoxypiperidin-1-yl)methanimine?
The IUPAC name of cyclopropyl-(4-methoxypiperidin-1-yl)methanimine (CID 63175529) is cyclopropyl-(4-methoxypiperidin-1-yl)methanimine.
What is the SMILES notation for cyclopropyl-(4-methoxypiperidin-1-yl)methanimine?
The canonical SMILES for cyclopropyl-(4-methoxypiperidin-1-yl)methanimine is [H]/N=C(\C1CC1)N1CCC(OC)CC1.
What is the InChIKey of cyclopropyl-(4-methoxypiperidin-1-yl)methanimine?
The InChIKey is WREMCBRJPRKTAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-9-4-6-12(7-5-9)10(11)8-2-3-8/h8-9,11H,2-7H2,1H3/b11-10+.
What are the key properties of cyclopropyl-(4-methoxypiperidin-1-yl)methanimine?
cyclopropyl-(4-methoxypiperidin-1-yl)methanimine has a molecular weight of 182.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methoxypiperidin-1-yl)methanimine is sourced from PubChem (CID 63175529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).