1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine

C26H35N3O — CID 42522163

About 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 42522163) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
• PubChem CID: 42522163
• Molecular Formula: C26H35N3O
• Molecular Weight: 405.59 g/mol
• Exact Mass: 405.28
• IUPAC Name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
• SMILES: c1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)nc1
• InChI: InChI=1S/C26H35N3O/c1-2-7-23-17-25(16-22(23)6-1)29-13-10-21(11-14-29)18-28(20-26-9-5-15-30-26)19-24-8-3-4-12-27-24/h1-4,6-8,12,21,25-26H,5,9-11,13-20H2/t26-/m0/s1
• InChIKey: NJPIXUSARONFBC-SANMLTNESA-N
• XLogP: 3.94
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.59
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?

The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 42522163) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.

What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?

The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)nc1.

What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?

The InChIKey is NJPIXUSARONFBC-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N3O/c1-2-7-23-17-25(16-22(23)6-1)29-13-10-21(11-14-29)18-28(20-26-9-5-15-30-26)19-24-8-3-4-12-27-24/h1-4,6-8,12,21,25-26H,5,9-11,13-20H2/t26-/m0/s1.

What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 405.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 42522163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).