(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine

C9H14N4 — CID 137270615

IUPAC(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1cnc[nH]1
InChIInChI=1S/C9H14N4/c1-2-4-13(5-3-1)12-7-9-6-10-8-11-9/h6-8H,1-5H2,(H,10,11)/b12-7+
InChIKeyZJYSUBOAMUHYFX-KPKJPENVSA-N
MW178.24 g/mol
LogP1.23
Rot. Bonds2

About (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine

(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine (PubChem CID 137270615) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine
PubChem CID137270615
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1cnc[nH]1
InChIInChI=1S/C9H14N4/c1-2-4-13(5-3-1)12-7-9-6-10-8-11-9/h6-8H,1-5H2,(H,10,11)/b12-7+
InChIKeyZJYSUBOAMUHYFX-KPKJPENVSA-N
XLogP1.23
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine (CID 137270615) is (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine is C(=N/N1CCCCC1)\c1cnc[nH]1.
What is the InChIKey of (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine?
The InChIKey is ZJYSUBOAMUHYFX-KPKJPENVSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-4-13(5-3-1)12-7-9-6-10-8-11-9/h6-8H,1-5H2,(H,10,11)/b12-7+.
What are the key properties of (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine?
(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine has a molecular weight of 178.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 137270615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).