piperazin-1-ylmethyl 2-phenylpropanoate

C14H20N2O2 — CID 90094069

IUPACpiperazin-1-ylmethyl 2-phenylpropanoate
SMILESCC(C(=O)OCN1CCNCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12(13-5-3-2-4-6-13)14(17)18-11-16-9-7-15-8-10-16/h2-6,12,15H,7-11H2,1H3
InChIKeyKFQGOAUHVFERPW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds4

About piperazin-1-ylmethyl 2-phenylpropanoate

piperazin-1-ylmethyl 2-phenylpropanoate (PubChem CID 90094069) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is piperazin-1-ylmethyl 2-phenylpropanoate.

Molecular Properties

Compound Namepiperazin-1-ylmethyl 2-phenylpropanoate
PubChem CID90094069
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepiperazin-1-ylmethyl 2-phenylpropanoate
SMILESCC(C(=O)OCN1CCNCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12(13-5-3-2-4-6-13)14(17)18-11-16-9-7-15-8-10-16/h2-6,12,15H,7-11H2,1H3
InChIKeyKFQGOAUHVFERPW-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
ethyl (2S)-2-phenylpropanoate
CID 7204861
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
bis(piperazin-1-ylmethyl) oxalate
CID 175248939
propyl (2R)-2-phenylpropanoate
CID 14926551
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
2-[3-(piperazin-1-ylmethyl)phenyl]propanoic acid;dihydrochloride
CID 117046322
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
3-phenyl-2-piperazin-1-ylbutanamide
CID 61307843

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylmethyl 2-phenylpropanoate?
The IUPAC name of piperazin-1-ylmethyl 2-phenylpropanoate (CID 90094069) is piperazin-1-ylmethyl 2-phenylpropanoate.
What is the SMILES notation for piperazin-1-ylmethyl 2-phenylpropanoate?
The canonical SMILES for piperazin-1-ylmethyl 2-phenylpropanoate is CC(C(=O)OCN1CCNCC1)c1ccccc1.
What is the InChIKey of piperazin-1-ylmethyl 2-phenylpropanoate?
The InChIKey is KFQGOAUHVFERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(13-5-3-2-4-6-13)14(17)18-11-16-9-7-15-8-10-16/h2-6,12,15H,7-11H2,1H3.
What are the key properties of piperazin-1-ylmethyl 2-phenylpropanoate?
piperazin-1-ylmethyl 2-phenylpropanoate has a molecular weight of 248.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethyl 2-phenylpropanoate is sourced from PubChem (CID 90094069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).