1-(oxan-4-ylmethyl)piperidin-2-imine

C11H20N2O — CID 63711535

IUPAC1-(oxan-4-ylmethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1CCOCC1
InChIInChI=1S/C11H20N2O/c12-11-3-1-2-6-13(11)9-10-4-7-14-8-5-10/h10,12H,1-9H2/b12-11+
InChIKeyCUTXTTCKHOQHPC-VAWYXSNFSA-N
MW196.29 g/mol
LogP1.88
Rot. Bonds2

About 1-(oxan-4-ylmethyl)piperidin-2-imine

1-(oxan-4-ylmethyl)piperidin-2-imine (PubChem CID 63711535) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)piperidin-2-imine
PubChem CID63711535
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(oxan-4-ylmethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC1CCOCC1
InChIInChI=1S/C11H20N2O/c12-11-3-1-2-6-13(11)9-10-4-7-14-8-5-10/h10,12H,1-9H2/b12-11+
InChIKeyCUTXTTCKHOQHPC-VAWYXSNFSA-N
XLogP1.88
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)piperidin-2-imine?
The IUPAC name of 1-(oxan-4-ylmethyl)piperidin-2-imine (CID 63711535) is 1-(oxan-4-ylmethyl)piperidin-2-imine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)piperidin-2-imine?
The canonical SMILES for 1-(oxan-4-ylmethyl)piperidin-2-imine is [H]/N=C1\CCCCN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)piperidin-2-imine?
The InChIKey is CUTXTTCKHOQHPC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11-3-1-2-6-13(11)9-10-4-7-14-8-5-10/h10,12H,1-9H2/b12-11+.
What are the key properties of 1-(oxan-4-ylmethyl)piperidin-2-imine?
1-(oxan-4-ylmethyl)piperidin-2-imine has a molecular weight of 196.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)piperidin-2-imine is sourced from PubChem (CID 63711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).