[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C13H27Cl2N3O2 — CID 119896717

IUPAC[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCCN(C)CC1CCN(C(=O)C2CNCCO2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-3-15(2)9-11-4-6-16(10-11)13(17)12-8-14-5-7-18-12;;/h11-12,14H,3-10H2,1-2H3;2*1H
InChIKeySSOFNHCQLYDHFO-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.62
Rot. Bonds4

About [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119896717) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119896717
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCCN(C)CC1CCN(C(=O)C2CNCCO2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-3-15(2)9-11-4-6-16(10-11)13(17)12-8-14-5-7-18-12;;/h11-12,14H,3-10H2,1-2H3;2*1H
InChIKeySSOFNHCQLYDHFO-UHFFFAOYSA-N
XLogP0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119775650
[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119789495
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[(3S)-3-hydroxypiperidin-1-yl]-morpholin-2-ylmethanone
CID 107222846
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119896709
(3-ethyl-4-phenylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 119817683
(4,4-diethylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 55160831
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896677
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119896717) is [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is CCN(C)CC1CCN(C(=O)C2CNCCO2)C1.Cl.Cl.
What is the InChIKey of [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is SSOFNHCQLYDHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-3-15(2)9-11-4-6-16(10-11)13(17)12-8-14-5-7-18-12;;/h11-12,14H,3-10H2,1-2H3;2*1H.
What are the key properties of [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119896717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).