[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride

C14H29Cl2N3O2 — CID 119595248

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
SMILESCCN1CCOC(C(=O)N2CCCC(C(C)N)C2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-12(9-17)11(2)15;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyULDQSXLCRUFUNL-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.14
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride (PubChem CID 119595248) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
PubChem CID119595248
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
SMILESCCN1CCOC(C(=O)N2CCCC(C(C)N)C2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-12(9-17)11(2)15;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyULDQSXLCRUFUNL-UHFFFAOYSA-N
XLogP1.14
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
CID 119637717
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 129414733
[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124779692
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124592660
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride (CID 119595248) is [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride is CCN1CCOC(C(=O)N2CCCC(C(C)N)C2)C1.Cl.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The InChIKey is ULDQSXLCRUFUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-12(9-17)11(2)15;;/h11-13H,3-10,15H2,1-2H3;2*1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119595248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).