ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate

C14H27N3O4 — CID 56827922

IUPACethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O4/c1-2-21-14(19)17-5-3-15(4-6-17)11-13(18)12-16-7-9-20-10-8-16/h13,18H,2-12H2,1H3
InChIKeyFCVPXMNIQOMEGN-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.55
Rot. Bonds5

About ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate

ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate (PubChem CID 56827922) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
PubChem CID56827922
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nameethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O4/c1-2-21-14(19)17-5-3-15(4-6-17)11-13(18)12-16-7-9-20-10-8-16/h13,18H,2-12H2,1H3
InChIKeyFCVPXMNIQOMEGN-UHFFFAOYSA-N
XLogP-0.55
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate (CID 56827922) is ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)CN2CCOCC2)CC1.
What is the InChIKey of ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate?
The InChIKey is FCVPXMNIQOMEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-2-21-14(19)17-5-3-15(4-6-17)11-13(18)12-16-7-9-20-10-8-16/h13,18H,2-12H2,1H3.
What are the key properties of ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate?
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 56827922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).