N-piperidin-3-ylmethanimine

C6H12N2 — CID 58804640

IUPACN-piperidin-3-ylmethanimine
SMILESC=NC1CCCNC1
InChIInChI=1S/C6H12N2/c1-7-6-3-2-4-8-5-6/h6,8H,1-5H2
InChIKeyGIYABFBMZNONGV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.44
Rot. Bonds1

About N-piperidin-3-ylmethanimine

N-piperidin-3-ylmethanimine (PubChem CID 58804640) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-piperidin-3-ylmethanimine.

Molecular Properties

Compound NameN-piperidin-3-ylmethanimine
PubChem CID58804640
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-piperidin-3-ylmethanimine
SMILESC=NC1CCCNC1
InChIInChI=1S/C6H12N2/c1-7-6-3-2-4-8-5-6/h6,8H,1-5H2
InChIKeyGIYABFBMZNONGV-UHFFFAOYSA-N
XLogP0.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.44
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 N-piperidin-3-ylmethanimine?
The IUPAC name of N-piperidin-3-ylmethanimine (CID 58804640) is N-piperidin-3-ylmethanimine.
What is the SMILES notation for N-piperidin-3-ylmethanimine?
The canonical SMILES for N-piperidin-3-ylmethanimine is C=NC1CCCNC1.
What is the InChIKey of N-piperidin-3-ylmethanimine?
The InChIKey is GIYABFBMZNONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-7-6-3-2-4-8-5-6/h6,8H,1-5H2.
What are the key properties of N-piperidin-3-ylmethanimine?
N-piperidin-3-ylmethanimine has a molecular weight of 112.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-ylmethanimine is sourced from PubChem (CID 58804640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).