1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol

C11H18N2O3 — CID 105066791

IUPAC1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cnccc1CO
InChIInChI=1S/C11H18N2O3/c1-13(6-10(15)8-16-2)11-5-12-4-3-9(11)7-14/h3-5,10,14-15H,6-8H2,1-2H3
InChIKeyLXELQNNPBONAMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.02
Rot. Bonds6

About 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol

1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 105066791) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID105066791
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cnccc1CO
InChIInChI=1S/C11H18N2O3/c1-13(6-10(15)8-16-2)11-5-12-4-3-9(11)7-14/h3-5,10,14-15H,6-8H2,1-2H3
InChIKeyLXELQNNPBONAMU-UHFFFAOYSA-N
XLogP0.02
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol (CID 105066791) is 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1cnccc1CO.
What is the InChIKey of 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is LXELQNNPBONAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(6-10(15)8-16-2)11-5-12-4-3-9(11)7-14/h3-5,10,14-15H,6-8H2,1-2H3.
What are the key properties of 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 226.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 105066791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).