(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol

C17H26N2O3 — CID 134288494

About (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol

(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol (PubChem CID 134288494) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

• Compound Name: (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
• PubChem CID: 134288494
• Molecular Formula: C17H26N2O3
• Molecular Weight: 306.41 g/mol
• Exact Mass: 306.19
• IUPAC Name: (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
• SMILES: C[C@H]1COc2ccc([C@@H](O)[C@H](N)CN3CCCCC3)cc2O1
• InChI: InChI=1S/C17H26N2O3/c1-12-11-21-15-6-5-13(9-16(15)22-12)17(20)14(18)10-19-7-3-2-4-8-19/h5-6,9,12,14,17,20H,2-4,7-8,10-11,18H2,1H3/t12-,14+,17+/m0/s1
• InChIKey: VWEINOBAWNYFKC-DXCKQFNASA-N
• XLogP: 1.69
• TPSA: 67.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.41
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol?

The IUPAC name of (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol (CID 134288494) is (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol.

What is the SMILES notation for (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol?

The canonical SMILES for (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol is C[C@H]1COc2ccc([C@@H](O)[C@H](N)CN3CCCCC3)cc2O1.

What is the InChIKey of (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol?

The InChIKey is VWEINOBAWNYFKC-DXCKQFNASA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-11-21-15-6-5-13(9-16(15)22-12)17(20)14(18)10-19-7-3-2-4-8-19/h5-6,9,12,14,17,20H,2-4,7-8,10-11,18H2,1H3/t12-,14+,17+/m0/s1.

What are the key properties of (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol?

(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 134288494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).