1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol

C12H27N3O2 — CID 2832250

IUPAC1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol
SMILESCN(CC(O)CN)CC(O)CN1CCCCC1
InChIInChI=1S/C12H27N3O2/c1-14(8-11(16)7-13)9-12(17)10-15-5-3-2-4-6-15/h11-12,16-17H,2-10,13H2,1H3
InChIKeyJQNGYSHBTOYTNG-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.92
Rot. Bonds7

About 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol

1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol (PubChem CID 2832250) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol
PubChem CID2832250
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol
SMILESCN(CC(O)CN)CC(O)CN1CCCCC1
InChIInChI=1S/C12H27N3O2/c1-14(8-11(16)7-13)9-12(17)10-15-5-3-2-4-6-15/h11-12,16-17H,2-10,13H2,1H3
InChIKeyJQNGYSHBTOYTNG-UHFFFAOYSA-N
XLogP-0.92
TPSA72.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol (CID 2832250) is 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol is CN(CC(O)CN)CC(O)CN1CCCCC1.
What is the InChIKey of 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol?
The InChIKey is JQNGYSHBTOYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-14(8-11(16)7-13)9-12(17)10-15-5-3-2-4-6-15/h11-12,16-17H,2-10,13H2,1H3.
What are the key properties of 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol?
1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol has a molecular weight of 245.37 g/mol, XLogP of -0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-hydroxy-3-piperidin-1-ylpropyl)-methylamino]propan-2-ol is sourced from PubChem (CID 2832250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).