ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate

C12H23N3O2 — CID 114011837

IUPACethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC2CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(16)15-7-5-14(6-8-15)4-3-11-9-13-10-11/h11,13H,2-10H2,1H3
InChIKeyIFGCYFYUFVWFQN-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds4

About ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate

ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate (PubChem CID 114011837) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate
PubChem CID114011837
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nameethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC2CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(16)15-7-5-14(6-8-15)4-3-11-9-13-10-11/h11,13H,2-10H2,1H3
InChIKeyIFGCYFYUFVWFQN-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
CID 58181055
CID 58181055
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
CID 145259630

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate (CID 114011837) is ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC2CNC2)CC1.
What is the InChIKey of ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is IFGCYFYUFVWFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-17-12(16)15-7-5-14(6-8-15)4-3-11-9-13-10-11/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 114011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).