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

C14H30N2O2 — CID 68843341

IUPAC1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN1CCCCC1)CC(C)O
InChIInChI=1S/C14H30N2O2/c1-13(17)11-16(12-14(2)18)10-6-9-15-7-4-3-5-8-15/h13-14,17-18H,3-12H2,1-2H3
InChIKeyMEHLQOBOJYKVPA-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.93
Rot. Bonds8

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

1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol (PubChem CID 68843341) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol
PubChem CID68843341
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN1CCCCC1)CC(C)O
InChIInChI=1S/C14H30N2O2/c1-13(17)11-16(12-14(2)18)10-6-9-15-7-4-3-5-8-15/h13-14,17-18H,3-12H2,1-2H3
InChIKeyMEHLQOBOJYKVPA-UHFFFAOYSA-N
XLogP0.93
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol (CID 68843341) is 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol is CC(O)CN(CCCN1CCCCC1)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol?
The InChIKey is MEHLQOBOJYKVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(17)11-16(12-14(2)18)10-6-9-15-7-4-3-5-8-15/h13-14,17-18H,3-12H2,1-2H3.
What are the key properties of 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol?
1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(3-piperidin-1-ylpropyl)amino]propan-2-ol is sourced from PubChem (CID 68843341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).