1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine

C13H27N3O — CID 79328207

IUPAC1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
SMILESCCC1COCCN1CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-2-13-11-17-10-9-16(13)8-7-15-5-3-12(14)4-6-15/h12-13H,2-11,14H2,1H3
InChIKeyMRUBKBDSHPJNBB-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine

1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine (PubChem CID 79328207) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
PubChem CID79328207
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
SMILESCCC1COCCN1CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-2-13-11-17-10-9-16(13)8-7-15-5-3-12(14)4-6-15/h12-13H,2-11,14H2,1H3
InChIKeyMRUBKBDSHPJNBB-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine (CID 79328207) is 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine is CCC1COCCN1CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is MRUBKBDSHPJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-13-11-17-10-9-16(13)8-7-15-5-3-12(14)4-6-15/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine?
1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79328207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).