N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine

C22H32N4O — CID 31043035

About N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine (PubChem CID 31043035) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

• Compound Name: N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
• PubChem CID: 31043035
• Molecular Formula: C22H32N4O
• Molecular Weight: 368.53 g/mol
• Exact Mass: 368.26
• IUPAC Name: N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
• SMILES: COCCN(Cc1ncc[nH]1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C22H32N4O/c1-27-12-11-25(17-22-23-8-9-24-22)15-18-5-4-10-26(16-18)21-13-19-6-2-3-7-20(19)14-21/h2-3,6-9,18,21H,4-5,10-17H2,1H3,(H,23,24)/t18-/m1/s1
• InChIKey: XUSFYIWAIRCKFB-GOSISDBHSA-N
• XLogP: 2.74
• TPSA: 44.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.53
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine?

The IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine (CID 31043035) is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine.

What is the SMILES notation for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine?

The canonical SMILES for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine is COCCN(Cc1ncc[nH]1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine?

The InChIKey is XUSFYIWAIRCKFB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N4O/c1-27-12-11-25(17-22-23-8-9-24-22)15-18-5-4-10-26(16-18)21-13-19-6-2-3-7-20(19)14-21/h2-3,6-9,18,21H,4-5,10-17H2,1H3,(H,23,24)/t18-/m1/s1.

What are the key properties of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine?

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 368.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 31043035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).