4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium

C132H191N15O5 — CID 158515133

About 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium

4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium (PubChem CID 158515133) has the molecular formula C132H191N15O5 and a molecular weight of 2068.08 g/mol. Its IUPAC name is 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium.

Molecular Properties

• Compound Name: 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium
• PubChem CID: 158515133
• Molecular Formula: C132H191N15O5
• Molecular Weight: 2068.08 g/mol
• Exact Mass: 2066.52
• IUPAC Name: 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium
• SMILES: [CH2-][NH+]1CCC(C(=O)c2ccccc2)CC1.[CH2-][NH+]1CCC(C(C)=O)(c2ccccc2)CC1.[CH2-][NH+]1CCC(Cc2ccccc2)CC1.[CH2-][NH+]1CCC(O)(c2ccccc2)CC1.[CH2-][NH+]1CCC(c2ccccc2)CC1.[CH2-][NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1.[CH2-][NH+]1CCCC(c2ccccc2)C1.[CH2-][NH+]1CCCCC1.[CH2-][NH+]1CCCCC1c1ccccc1.[CH2-][NH+]1CCOCC1.[CH2-][NH+]1CCc2ccccc2C1.[CH2-][NH+]1CCc2cccnc2C1
• InChI: InChI=1S/C14H19N3O.C14H19NO.C13H17NO.C13H19N.C12H17NO.3C12H17N.C10H13N.C9H12N2.C6H13N.C5H11NO/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12;1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13;1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11;1-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-8-3-2-5-10-9(8)7-11;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h2-6,16H,1,7-11H2,(H,15,18);3-7,15H,2,8-11H2,1H3;2-6,12,14H,1,7-10H2;2-6,13-14H,1,7-11H2;2-6,13-14H,1,7-10H2;2-4,7-8,12-13H,1,5-6,9-10H2;2-4,6-7,12-13H,1,5,8-10H2;2-6,12-13H,1,7-10H2;2-5,11H,1,6-8H2;2-3,5,11H,1,4,6-7H2;7H,1-6H2;6H,1-5H2
• InChIKey: HLNOFLZGQSFLRU-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 162.11 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.08
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium?

The IUPAC name of 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium (CID 158515133) is 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium.

What is the SMILES notation for 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium?

The canonical SMILES for 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium is [CH2-][NH+]1CCC(C(=O)c2ccccc2)CC1.[CH2-][NH+]1CCC(C(C)=O)(c2ccccc2)CC1.[CH2-][NH+]1CCC(Cc2ccccc2)CC1.[CH2-][NH+]1CCC(O)(c2ccccc2)CC1.[CH2-][NH+]1CCC(c2ccccc2)CC1.[CH2-][NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1.[CH2-][NH+]1CCCC(c2ccccc2)C1.[CH2-][NH+]1CCCCC1.[CH2-][NH+]1CCCCC1c1ccccc1.[CH2-][NH+]1CCOCC1.[CH2-][NH+]1CCc2ccccc2C1.[CH2-][NH+]1CCc2cccnc2C1.

What is the InChIKey of 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium?

The InChIKey is HLNOFLZGQSFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C14H19NO.C13H17NO.C13H19N.C12H17NO.3C12H17N.C10H13N.C9H12N2.C6H13N.C5H11NO/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12;1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13;1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11;1-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-8-3-2-5-10-9(8)7-11;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h2-6,16H,1,7-11H2,(H,15,18);3-7,15H,2,8-11H2,1H3;2-6,12,14H,1,7-10H2;2-6,13-14H,1,7-11H2;2-6,13-14H,1,7-10H2;2-4,7-8,12-13H,1,5-6,9-10H2;2-4,6-7,12-13H,1,5,8-10H2;2-6,12-13H,1,7-10H2;2-5,11H,1,6-8H2;2-3,5,11H,1,4,6-7H2;7H,1-6H2;6H,1-5H2.

What are the key properties of 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium?

4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium has a molecular weight of 2068.08 g/mol, XLogP of 6.23, 11 rotatable bonds, 14 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-1-methanidylpiperidin-1-ium;4-methanidylmorpholin-4-ium;8-methanidyl-1-phenyl-1,3-diaza-8-azoniaspiro[4.5]decan-4-one;1-methanidyl-2-phenylpiperidin-1-ium;1-methanidyl-3-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium;1-methanidyl-4-phenylpiperidin-1-ium-4-ol;1-(1-methanidyl-4-phenylpiperidin-1-ium-4-yl)ethanone;1-methanidylpiperidin-1-ium;(1-methanidylpiperidin-1-ium-4-yl)-phenylmethanone;2-methanidyl-1,2,3,4-tetrahydroisoquinolin-2-ium;7-methanidyl-5,6,7,8-tetrahydro-1,7-naphthyridin-7-ium is sourced from PubChem (CID 158515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).