sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C77H93ClN7Na — CID 159827897

About sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 159827897) has the molecular formula C77H93ClN7Na and a molecular weight of 1175.08 g/mol. Its IUPAC name is sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

• Compound Name: sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
• PubChem CID: 159827897
• Molecular Formula: C77H93ClN7Na
• Molecular Weight: 1175.08 g/mol
• Exact Mass: 1173.71
• IUPAC Name: sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
• SMILES: ClCC1CCCCN1Cc1ccccc1.[NH2-].[Na+].c1ccc(CN2CCCCC2CN(c2ccccc2)C2Cc3ccccc3C2)cc1.c1ccc(N(CC2CCCCN2)C2Cc3ccccc3C2)cc1.c1ccc(NC2Cc3ccccc3C2)cc1
• InChI: InChI=1S/C28H32N2.C21H26N2.C15H15N.C13H18ClN.H2N.Na/c1-3-11-23(12-4-1)21-29-18-10-9-17-27(29)22-30(26-15-5-2-6-16-26)28-19-24-13-7-8-14-25(24)20-28;1-2-11-20(12-3-1)23(16-19-10-6-7-13-22-19)21-14-17-8-4-5-9-18(17)15-21;1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15;14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;;/h1-8,11-16,27-28H,9-10,17-22H2;1-5,8-9,11-12,19,21-22H,6-7,10,13-16H2;1-9,15-16H,10-11H2;1-3,6-7,13H,4-5,8-11H2;1H2;/q;;;;-1;+1
• InChIKey: NNBSLVZOEXACOC-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 70.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.08
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?

The IUPAC name of sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 159827897) is sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

What is the SMILES notation for sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?

The canonical SMILES for sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is ClCC1CCCCN1Cc1ccccc1.[NH2-].[Na+].c1ccc(CN2CCCCC2CN(c2ccccc2)C2Cc3ccccc3C2)cc1.c1ccc(N(CC2CCCCN2)C2Cc3ccccc3C2)cc1.c1ccc(NC2Cc3ccccc3C2)cc1.

What is the InChIKey of sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?

The InChIKey is NNBSLVZOEXACOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2.C21H26N2.C15H15N.C13H18ClN.H2N.Na/c1-3-11-23(12-4-1)21-29-18-10-9-17-27(29)22-30(26-15-5-2-6-16-26)28-19-24-13-7-8-14-25(24)20-28;1-2-11-20(12-3-1)23(16-19-10-6-7-13-22-19)21-14-17-8-4-5-9-18(17)15-21;1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15;14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;;/h1-8,11-16,27-28H,9-10,17-22H2;1-5,8-9,11-12,19,21-22H,6-7,10,13-16H2;1-9,15-16H,10-11H2;1-3,6-7,13H,4-5,8-11H2;1H2;/q;;;;-1;+1.

What are the key properties of sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?

sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 1175.08 g/mol, XLogP of 13.78, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 159827897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).