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

C16H33NO2 — CID 76961511

IUPAC2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol
SMILESCCCC(CCC)CCC[C@H]1COCCN1CCO
InChIInChI=1S/C16H33NO2/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/t16-/m0/s1
InChIKeyQSFOWAYMMZCQNF-INIZCTEOSA-N
MW271.44 g/mol
LogP3.07
Rot. Bonds10

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

2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol (PubChem CID 76961511) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol
PubChem CID76961511
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol
SMILESCCCC(CCC)CCC[C@H]1COCCN1CCO
InChIInChI=1S/C16H33NO2/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/t16-/m0/s1
InChIKeyQSFOWAYMMZCQNF-INIZCTEOSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol?
The IUPAC name of 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol (CID 76961511) is 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol is CCCC(CCC)CCC[C@H]1COCCN1CCO.
What is the InChIKey of 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol?
The InChIKey is QSFOWAYMMZCQNF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H33NO2/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/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol?
2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol has a molecular weight of 271.44 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-propylheptyl)morpholin-4-yl]ethanol is sourced from PubChem (CID 76961511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).