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

C16H34ClNO2 — CID 76961508

IUPAC2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCC(CCC)CCC[C@@H]1COCCN1CCO.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/t16-;/m1./s1
InChIKeyJFZBMJJFVBMZNC-PKLMIRHRSA-N
MW307.91 g/mol
LogP3.49
Rot. Bonds10

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

2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride (PubChem CID 76961508) has the molecular formula C16H34ClNO2 and a molecular weight of 307.91 g/mol. Its IUPAC name is 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
PubChem CID76961508
Molecular FormulaC16H34ClNO2
Molecular Weight307.91 g/mol
Exact Mass307.23
IUPAC Name2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCC(CCC)CCC[C@@H]1COCCN1CCO.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/t16-;/m1./s1
InChIKeyJFZBMJJFVBMZNC-PKLMIRHRSA-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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Related Compounds

4-propyl-3-(4-propylheptyl)morpholine
CID 70282386
7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol
CID 101024698
2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
3,4-di(tridecyl)morpholine
CID 172742724
(3R)-7-morpholin-4-yl-3-propylheptan-1-ol
CID 118890062
trimethoxy-[3-(4-propylmorpholin-3-yl)propyl]silane
CID 152610920
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
3-butyl-4-prop-2-enylmorpholine
CID 175912707
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride (CID 76961508) is 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride is CCCC(CCC)CCC[C@@H]1COCCN1CCO.Cl.
What is the InChIKey of 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
The InChIKey is JFZBMJJFVBMZNC-PKLMIRHRSA-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/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride?
2-[(3R)-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-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 76961508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).