4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine

C23H30N4O — CID 144721716

IUPAC4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine
SMILES[H]/N=C/n1cc(C2CC2)c(OCC2(C)CCN(Cc3ccccc3)CC2)c/c1=N\[H]
InChIInChI=1S/C23H30N4O/c1-23(9-11-26(12-10-23)14-18-5-3-2-4-6-18)16-28-21-13-22(25)27(17-24)15-20(21)19-7-8-19/h2-6,13,15,17,19,24-25H,7-12,14,16H2,1H3/b24-17+,25-22+
InChIKeyQQFVDERDXCBOPC-GIHPTVFISA-N
MW378.52 g/mol
LogP3.98
Rot. Bonds7

About 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine

4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine (PubChem CID 144721716) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Name4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine
PubChem CID144721716
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine
SMILES[H]/N=C/n1cc(C2CC2)c(OCC2(C)CCN(Cc3ccccc3)CC2)c/c1=N\[H]
InChIInChI=1S/C23H30N4O/c1-23(9-11-26(12-10-23)14-18-5-3-2-4-6-18)16-28-21-13-22(25)27(17-24)15-20(21)19-7-8-19/h2-6,13,15,17,19,24-25H,7-12,14,16H2,1H3/b24-17+,25-22+
InChIKeyQQFVDERDXCBOPC-GIHPTVFISA-N
XLogP3.98
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine?
The IUPAC name of 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine (CID 144721716) is 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine.
What is the SMILES notation for 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine?
The canonical SMILES for 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine is [H]/N=C/n1cc(C2CC2)c(OCC2(C)CCN(Cc3ccccc3)CC2)c/c1=N\[H].
What is the InChIKey of 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine?
The InChIKey is QQFVDERDXCBOPC-GIHPTVFISA-N. The full InChI is InChI=1S/C23H30N4O/c1-23(9-11-26(12-10-23)14-18-5-3-2-4-6-18)16-28-21-13-22(25)27(17-24)15-20(21)19-7-8-19/h2-6,13,15,17,19,24-25H,7-12,14,16H2,1H3/b24-17+,25-22+.
What are the key properties of 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine?
4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine has a molecular weight of 378.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 144721716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).