1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine

C64H136N10O15 — CID 167590242

IUPAC1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
SMILESCCCCN1CCN(CCOCCOC)CC1.COCCOCCN1CCCC1.COCCOCCN1CCN(C(=O)OC(C)(C)C)CC1.COCCOCCN1CCN(C)CC1.COCCOCCN1CCNCC1.COCCOCCN1CCOCC1
InChIInChI=1S/C14H28N2O4.C13H28N2O2.C10H22N2O2.C9H20N2O2.C9H19NO3.C9H19NO2/c1-14(2,3)20-13(17)16-7-5-15(6-8-16)9-10-19-12-11-18-4;1-3-4-5-14-6-8-15(9-7-14)10-11-17-13-12-16-2;1-11-3-5-12(6-4-11)7-8-14-10-9-13-2;1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-11-8-9-13-7-4-10-2-5-12-6-3-10;1-11-8-9-12-7-6-10-4-2-3-5-10/h5-12H2,1-4H3;3-13H2,1-2H3;3-10H2,1-2H3;10H,2-9H2,1H3;2-9H2,1H3;2-9H2,1H3
InChIKeyIIJGSZDUXKVYTF-UHFFFAOYSA-N
MW1285.85 g/mol
LogP2.45
Rot. Bonds39

About 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine

1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine (PubChem CID 167590242) has the molecular formula C64H136N10O15 and a molecular weight of 1285.85 g/mol. Its IUPAC name is 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
PubChem CID167590242
Molecular FormulaC64H136N10O15
Molecular Weight1285.85 g/mol
Exact Mass1285.02
IUPAC Name1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
SMILESCCCCN1CCN(CCOCCOC)CC1.COCCOCCN1CCCC1.COCCOCCN1CCN(C(=O)OC(C)(C)C)CC1.COCCOCCN1CCN(C)CC1.COCCOCCN1CCNCC1.COCCOCCN1CCOCC1
InChIInChI=1S/C14H28N2O4.C13H28N2O2.C10H22N2O2.C9H20N2O2.C9H19NO3.C9H19NO2/c1-14(2,3)20-13(17)16-7-5-15(6-8-16)9-10-19-12-11-18-4;1-3-4-5-14-6-8-15(9-7-14)10-11-17-13-12-16-2;1-11-3-5-12(6-4-11)7-8-14-10-9-13-2;1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-11-8-9-13-7-4-10-2-5-12-6-3-10;1-11-8-9-12-7-6-10-4-2-3-5-10/h5-12H2,1-4H3;3-13H2,1-2H3;3-10H2,1-2H3;10H,2-9H2,1H3;2-9H2,1H3;2-9H2,1H3
InChIKeyIIJGSZDUXKVYTF-UHFFFAOYSA-N
XLogP2.45
TPSA187.48 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001285.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine with MolForge

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Related Compounds

ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368
tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate;4-N-butyl-6-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine;4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine;4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine;4-N-butyl-6-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine;4-N-butyl-6-methyl-5-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine;4-N-butyl-6-methyl-5-(3-thiomorpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 162206795
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
CID 174304183

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine (CID 167590242) is 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine is CCCCN1CCN(CCOCCOC)CC1.COCCOCCN1CCCC1.COCCOCCN1CCN(C(=O)OC(C)(C)C)CC1.COCCOCCN1CCN(C)CC1.COCCOCCN1CCNCC1.COCCOCCN1CCOCC1.
What is the InChIKey of 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The InChIKey is IIJGSZDUXKVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4.C13H28N2O2.C10H22N2O2.C9H20N2O2.C9H19NO3.C9H19NO2/c1-14(2,3)20-13(17)16-7-5-15(6-8-16)9-10-19-12-11-18-4;1-3-4-5-14-6-8-15(9-7-14)10-11-17-13-12-16-2;1-11-3-5-12(6-4-11)7-8-14-10-9-13-2;1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-11-8-9-13-7-4-10-2-5-12-6-3-10;1-11-8-9-12-7-6-10-4-2-3-5-10/h5-12H2,1-4H3;3-13H2,1-2H3;3-10H2,1-2H3;10H,2-9H2,1H3;2-9H2,1H3;2-9H2,1H3.
What are the key properties of 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine has a molecular weight of 1285.85 g/mol, XLogP of 2.45, 39 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 167590242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).