butyl 2-(2-methoxyethyl)piperazine-1-carboxylate

C12H24N2O3 — CID 67677495

IUPACbutyl 2-(2-methoxyethyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNCC1CCOC
InChIInChI=1S/C12H24N2O3/c1-3-4-8-17-12(15)14-7-6-13-10-11(14)5-9-16-2/h11,13H,3-10H2,1-2H3
InChIKeyICZMUBFFPZJZSB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds6

About butyl 2-(2-methoxyethyl)piperazine-1-carboxylate

butyl 2-(2-methoxyethyl)piperazine-1-carboxylate (PubChem CID 67677495) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is butyl 2-(2-methoxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-(2-methoxyethyl)piperazine-1-carboxylate
PubChem CID67677495
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namebutyl 2-(2-methoxyethyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNCC1CCOC
InChIInChI=1S/C12H24N2O3/c1-3-4-8-17-12(15)14-7-6-13-10-11(14)5-9-16-2/h11,13H,3-10H2,1-2H3
InChIKeyICZMUBFFPZJZSB-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
CID 142779221
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946
(5-butoxy-2-fluorophenyl)methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69141844
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 164522994
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 175737016
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-methoxyethyl)piperazine-1-carboxylate?
The IUPAC name of butyl 2-(2-methoxyethyl)piperazine-1-carboxylate (CID 67677495) is butyl 2-(2-methoxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for butyl 2-(2-methoxyethyl)piperazine-1-carboxylate?
The canonical SMILES for butyl 2-(2-methoxyethyl)piperazine-1-carboxylate is CCCCOC(=O)N1CCNCC1CCOC.
What is the InChIKey of butyl 2-(2-methoxyethyl)piperazine-1-carboxylate?
The InChIKey is ICZMUBFFPZJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-8-17-12(15)14-7-6-13-10-11(14)5-9-16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of butyl 2-(2-methoxyethyl)piperazine-1-carboxylate?
butyl 2-(2-methoxyethyl)piperazine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-methoxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 67677495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).