ethyl 2-piperazin-1-ylbutanoate

C10H20N2O2 — CID 18354457

IUPACethyl 2-piperazin-1-ylbutanoate
SMILESCCOC(=O)C(CC)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-3-9(10(13)14-4-2)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyFGNJKYXODBHUEI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

About ethyl 2-piperazin-1-ylbutanoate

ethyl 2-piperazin-1-ylbutanoate (PubChem CID 18354457) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-piperazin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-piperazin-1-ylbutanoate
PubChem CID18354457
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 2-piperazin-1-ylbutanoate
SMILESCCOC(=O)C(CC)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-3-9(10(13)14-4-2)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyFGNJKYXODBHUEI-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Ethyl 2-[2-(1-ethoxycarbonylpropylamino)ethylamino]butanoate
CID 469945
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887
Methyl 1-(piperazin-1-yl)cyclopropane-1-carboxylate dihydrochloride
CID 138991326
Methyl 2-(methylamino)-4-(morpholin-4-yl)butanoate dihydrochloride
CID 154832910
Methyl 3,6-dimethylpiperazine-2-carboxylate
CID 170913544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-1-ylbutanoate?
The IUPAC name of ethyl 2-piperazin-1-ylbutanoate (CID 18354457) is ethyl 2-piperazin-1-ylbutanoate.
What is the SMILES notation for ethyl 2-piperazin-1-ylbutanoate?
The canonical SMILES for ethyl 2-piperazin-1-ylbutanoate is CCOC(=O)C(CC)N1CCNCC1.
What is the InChIKey of ethyl 2-piperazin-1-ylbutanoate?
The InChIKey is FGNJKYXODBHUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(10(13)14-4-2)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-piperazin-1-ylbutanoate?
ethyl 2-piperazin-1-ylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-1-ylbutanoate is sourced from PubChem (CID 18354457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).