methyl 2-piperazin-1-ylbutanoate

C9H18N2O2 — CID 61002490

IUPACmethyl 2-piperazin-1-ylbutanoate
SMILESCCC(C(=O)OC)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-8(9(12)13-2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyCMUSGRQSEUDDID-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2-piperazin-1-ylbutanoate

methyl 2-piperazin-1-ylbutanoate (PubChem CID 61002490) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylbutanoate
PubChem CID61002490
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-piperazin-1-ylbutanoate
SMILESCCC(C(=O)OC)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-8(9(12)13-2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyCMUSGRQSEUDDID-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl Piperazine-2-carboxylate
CID 2760426
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193
Methyl 1-(piperazin-1-yl)cyclopropane-1-carboxylate dihydrochloride
CID 138991326
Methyl (S)-1-methylpiperazine-2-carboxylate dihydrochloride
CID 167735941
Methyl 3,6-dimethylpiperazine-2-carboxylate
CID 170913544
Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
CID 131920

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylbutanoate?
The IUPAC name of methyl 2-piperazin-1-ylbutanoate (CID 61002490) is methyl 2-piperazin-1-ylbutanoate.
What is the SMILES notation for methyl 2-piperazin-1-ylbutanoate?
The canonical SMILES for methyl 2-piperazin-1-ylbutanoate is CCC(C(=O)OC)N1CCNCC1.
What is the InChIKey of methyl 2-piperazin-1-ylbutanoate?
The InChIKey is CMUSGRQSEUDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(9(12)13-2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-piperazin-1-ylbutanoate?
methyl 2-piperazin-1-ylbutanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylbutanoate is sourced from PubChem (CID 61002490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).