propyl 3-piperazin-1-ylbenzoate

C14H20N2O2 — CID 175170803

IUPACpropyl 3-piperazin-1-ylbenzoate
SMILESCCCOC(=O)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-10-18-14(17)12-4-3-5-13(11-12)16-8-6-15-7-9-16/h3-5,11,15H,2,6-10H2,1H3
InChIKeyXWINACWEPFYQTE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds4

About propyl 3-piperazin-1-ylbenzoate

propyl 3-piperazin-1-ylbenzoate (PubChem CID 175170803) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is propyl 3-piperazin-1-ylbenzoate.

Molecular Properties

Compound Namepropyl 3-piperazin-1-ylbenzoate
PubChem CID175170803
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepropyl 3-piperazin-1-ylbenzoate
SMILESCCCOC(=O)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-10-18-14(17)12-4-3-5-13(11-12)16-8-6-15-7-9-16/h3-5,11,15H,2,6-10H2,1H3
InChIKeyXWINACWEPFYQTE-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-imidazolidin-1-ylbenzoate
CID 141172883
butyl 4-piperazin-1-ylbenzoate;ethyl 4-piperazin-1-ylbenzoate
CID 158696483
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542
propyl 3-acetylbenzoate
CID 153251461
propyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000036
methyl 3-(4-butanoylpiperazin-1-yl)benzoate
CID 113078437
propyl 3-cyanobenzoate
CID 43389575
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
ethyl 3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]benzoate
CID 174360988
N-[2,3-di(tetradecoxy)propyl]-3-piperazin-1-ylbenzamide
CID 134231544
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111

Frequently Asked Questions

What is the IUPAC name of propyl 3-piperazin-1-ylbenzoate?
The IUPAC name of propyl 3-piperazin-1-ylbenzoate (CID 175170803) is propyl 3-piperazin-1-ylbenzoate.
What is the SMILES notation for propyl 3-piperazin-1-ylbenzoate?
The canonical SMILES for propyl 3-piperazin-1-ylbenzoate is CCCOC(=O)c1cccc(N2CCNCC2)c1.
What is the InChIKey of propyl 3-piperazin-1-ylbenzoate?
The InChIKey is XWINACWEPFYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-18-14(17)12-4-3-5-13(11-12)16-8-6-15-7-9-16/h3-5,11,15H,2,6-10H2,1H3.
What are the key properties of propyl 3-piperazin-1-ylbenzoate?
propyl 3-piperazin-1-ylbenzoate has a molecular weight of 248.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-piperazin-1-ylbenzoate is sourced from PubChem (CID 175170803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).