1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol

C12H26N2O3 — CID 121014862

IUPAC1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCC(O)CN(CCN1CCOCC1)CC(C)O
InChIInChI=1S/C12H26N2O3/c1-11(15)9-14(10-12(2)16)4-3-13-5-7-17-8-6-13/h11-12,15-16H,3-10H2,1-2H3
InChIKeyRIHTVFXWBJBDFX-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.62
Rot. Bonds7

About 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol

1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol (PubChem CID 121014862) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol
PubChem CID121014862
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol
SMILESCC(O)CN(CCN1CCOCC1)CC(C)O
InChIInChI=1S/C12H26N2O3/c1-11(15)9-14(10-12(2)16)4-3-13-5-7-17-8-6-13/h11-12,15-16H,3-10H2,1-2H3
InChIKeyRIHTVFXWBJBDFX-UHFFFAOYSA-N
XLogP-0.62
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol (CID 121014862) is 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol is CC(O)CN(CCN1CCOCC1)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol?
The InChIKey is RIHTVFXWBJBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(15)9-14(10-12(2)16)4-3-13-5-7-17-8-6-13/h11-12,15-16H,3-10H2,1-2H3.
What are the key properties of 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol?
1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(2-morpholin-4-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 121014862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).