1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol

C15H32N2O2 — CID 63933116

IUPAC1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCCCNC(C)C1CCN(CC(O)COCC)CC1
InChIInChI=1S/C15H32N2O2/c1-4-8-16-13(3)14-6-9-17(10-7-14)11-15(18)12-19-5-2/h13-16,18H,4-12H2,1-3H3
InChIKeyQMEYAXTZTIXICF-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.48
Rot. Bonds9

About 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol

1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol (PubChem CID 63933116) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol
PubChem CID63933116
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCCCNC(C)C1CCN(CC(O)COCC)CC1
InChIInChI=1S/C15H32N2O2/c1-4-8-16-13(3)14-6-9-17(10-7-14)11-15(18)12-19-5-2/h13-16,18H,4-12H2,1-3H3
InChIKeyQMEYAXTZTIXICF-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol (CID 63933116) is 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol is CCCNC(C)C1CCN(CC(O)COCC)CC1.
What is the InChIKey of 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is QMEYAXTZTIXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-8-16-13(3)14-6-9-17(10-7-14)11-15(18)12-19-5-2/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol?
1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 272.43 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63933116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).