(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine

C21H22N4 — CID 5343498

IUPAC(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1
InChIInChI=1S/C21H22N4/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-11-13-25(14-12-24)23-16-18-5-4-10-22-15-18/h1-10,15-16H,11-14,17H2/b23-16+
InChIKeyNYLAUQJTBURUOI-XQNSMLJCSA-N
MW330.44 g/mol
LogP3.39
Rot. Bonds4

About (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine (PubChem CID 5343498) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
PubChem CID5343498
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1
InChIInChI=1S/C21H22N4/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-11-13-25(14-12-24)23-16-18-5-4-10-22-15-18/h1-10,15-16H,11-14,17H2/b23-16+
InChIKeyNYLAUQJTBURUOI-XQNSMLJCSA-N
XLogP3.39
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
The IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine (CID 5343498) is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine is C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1.
What is the InChIKey of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
The InChIKey is NYLAUQJTBURUOI-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-11-13-25(14-12-24)23-16-18-5-4-10-22-15-18/h1-10,15-16H,11-14,17H2/b23-16+.
What are the key properties of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine has a molecular weight of 330.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 5343498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).