[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride

C14H29Cl2N3O3 — CID 119880159

IUPAC[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCCC1CN(C(=O)C2COCCN2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-3-12-9-17(6-5-16(12)8-11(2)18)14(19)13-10-20-7-4-15-13;;/h11-13,15,18H,3-10H2,1-2H3;2*1H
InChIKeyMBDJGJYTIVCGHS-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.12
Rot. Bonds4

About [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride

[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (PubChem CID 119880159) has the molecular formula C14H29Cl2N3O3 and a molecular weight of 358.31 g/mol. Its IUPAC name is [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
PubChem CID119880159
Molecular FormulaC14H29Cl2N3O3
Molecular Weight358.31 g/mol
Exact Mass357.16
IUPAC Name[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCCC1CN(C(=O)C2COCCN2)CCN1CC(C)O.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-3-12-9-17(6-5-16(12)8-11(2)18)14(19)13-10-20-7-4-15-13;;/h11-13,15,18H,3-10H2,1-2H3;2*1H
InChIKeyMBDJGJYTIVCGHS-UHFFFAOYSA-N
XLogP0.12
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119880227
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119817036
(2S)-2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119880197
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880225
2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119880157
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The IUPAC name of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (CID 119880159) is [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride is CCC1CN(C(=O)C2COCCN2)CCN1CC(C)O.Cl.Cl.
What is the InChIKey of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The InChIKey is MBDJGJYTIVCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.2ClH/c1-3-12-9-17(6-5-16(12)8-11(2)18)14(19)13-10-20-7-4-15-13;;/h11-13,15,18H,3-10H2,1-2H3;2*1H.
What are the key properties of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119880159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).