ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide

C15H30BrN3O3 — CID 160558993

IUPACethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
SMILESBr.CCOC(=O)C(C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3.BrH/c1-3-21-15(19)14(2)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17;/h14H,3-13H2,1-2H3;1H
InChIKeyQZBFSMSVTAVJLO-UHFFFAOYSA-N
MW380.33 g/mol
LogP0.47
Rot. Bonds6

About ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide

ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide (PubChem CID 160558993) has the molecular formula C15H30BrN3O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
PubChem CID160558993
Molecular FormulaC15H30BrN3O3
Molecular Weight380.33 g/mol
Exact Mass379.15
IUPAC Nameethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
SMILESBr.CCOC(=O)C(C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3.BrH/c1-3-21-15(19)14(2)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17;/h14H,3-13H2,1-2H3;1H
InChIKeyQZBFSMSVTAVJLO-UHFFFAOYSA-N
XLogP0.47
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Ethyl 1,4-diazabicyclo(2.2.2)octane-2-carboxylate
CID 11008602
Ethyl 2-morpholin-4-ylpropanoate
CID 13022013
Ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 61939906
Ethyl 2,3-bis(1-piperidyl)propanoate
CID 458608
Ethyl 2,3-dimorpholin-4-ylbutanoate;hydrochloride
CID 24199876
Ethyl 2,3-di(piperidin-1-yl)propanoate
CID 458609
Ethyl 1,4-di(propan-2-yl)piperazine-2-carboxylate
CID 10776575
Ethyl 2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetate
CID 11630517
1-Ethoxycarbonylmethyl-4-isopropylpiperazine
CID 13748614
Methyl 2-(4-methylpiperazin-1-YL)propanoate
CID 15164420
Methyl 2-[4-(1-methoxy-1-oxopropan-2-yl)piperazin-1-yl]propanoate
CID 15918608

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide?
The IUPAC name of ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide (CID 160558993) is ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide.
What is the SMILES notation for ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide?
The canonical SMILES for ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide is Br.CCOC(=O)C(C)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide?
The InChIKey is QZBFSMSVTAVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.BrH/c1-3-21-15(19)14(2)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17;/h14H,3-13H2,1-2H3;1H.
What are the key properties of ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide?
ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide has a molecular weight of 380.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide is sourced from PubChem (CID 160558993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).