4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine

C14H28N2O — CID 122545631

IUPAC4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine
SMILESCC[C@H]1CCCN(CCN2CCOCC2C)C1
InChIInChI=1S/C14H28N2O/c1-3-14-5-4-6-15(11-14)7-8-16-9-10-17-12-13(16)2/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1
InChIKeyXSLZVTMZEYFJFV-KZUDCZAMSA-N
MW240.39 g/mol
LogP1.83
Rot. Bonds4

About 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine

4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine (PubChem CID 122545631) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine
PubChem CID122545631
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine
SMILESCC[C@H]1CCCN(CCN2CCOCC2C)C1
InChIInChI=1S/C14H28N2O/c1-3-14-5-4-6-15(11-14)7-8-16-9-10-17-12-13(16)2/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1
InChIKeyXSLZVTMZEYFJFV-KZUDCZAMSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine?
The IUPAC name of 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine (CID 122545631) is 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine.
What is the SMILES notation for 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine?
The canonical SMILES for 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine is CC[C@H]1CCCN(CCN2CCOCC2C)C1.
What is the InChIKey of 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine?
The InChIKey is XSLZVTMZEYFJFV-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14-5-4-6-15(11-14)7-8-16-9-10-17-12-13(16)2/h13-14H,3-12H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine?
4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine has a molecular weight of 240.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine is sourced from PubChem (CID 122545631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).