3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol

C14H30N2O2 — CID 106186760

IUPAC3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
SMILESCCCN1CCCC(C(C)NC(CO)COC)C1
InChIInChI=1S/C14H30N2O2/c1-4-7-16-8-5-6-13(9-16)12(2)15-14(10-17)11-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyKQMFXMAJLNXOAS-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.09
Rot. Bonds8

About 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol

3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol (PubChem CID 106186760) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
PubChem CID106186760
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
SMILESCCCN1CCCC(C(C)NC(CO)COC)C1
InChIInChI=1S/C14H30N2O2/c1-4-7-16-8-5-6-13(9-16)12(2)15-14(10-17)11-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyKQMFXMAJLNXOAS-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol (CID 106186760) is 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol is CCCN1CCCC(C(C)NC(CO)COC)C1.
What is the InChIKey of 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The InChIKey is KQMFXMAJLNXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-7-16-8-5-6-13(9-16)12(2)15-14(10-17)11-18-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 106186760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).