2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride

C16H34ClNO2 — CID 6917873

IUPAC2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCC(CCC)CCCC1COCCN1CCO.Cl
InChIInChI=1S/C16H33NO2.ClH/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18;/h15-16,18H,3-14H2,1-2H3;1H
InChIKeyJFZBMJJFVBMZNC-UHFFFAOYSA-N
MW307.91 g/mol
LogP3.49
Rot. Bonds10

About 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride

2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride (PubChem CID 6917873) has the molecular formula C16H34ClNO2 and a molecular weight of 307.91 g/mol. Its IUPAC name is 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
PubChem CID6917873
Molecular FormulaC16H34ClNO2
Molecular Weight307.91 g/mol
Exact Mass307.23
IUPAC Name2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCC(CCC)CCCC1COCCN1CCO.Cl
InChIInChI=1S/C16H33NO2.ClH/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18;/h15-16,18H,3-14H2,1-2H3;1H
InChIKeyJFZBMJJFVBMZNC-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride (CID 6917873) is 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride is CCCC(CCC)CCCC1COCCN1CCO.Cl.
What is the InChIKey of 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The InChIKey is JFZBMJJFVBMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.ClH/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18;/h15-16,18H,3-14H2,1-2H3;1H.
What are the key properties of 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride has a molecular weight of 307.91 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 6917873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).