piperazin-1-ylmethyl propanoate

C8H16N2O2 — CID 151956933

IUPACpiperazin-1-ylmethyl propanoate
SMILESCCC(=O)OCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-8(11)12-7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyTXVJKJQPZNILRP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.20
Rot. Bonds3

About piperazin-1-ylmethyl propanoate

piperazin-1-ylmethyl propanoate (PubChem CID 151956933) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is piperazin-1-ylmethyl propanoate.

Molecular Properties

Compound Namepiperazin-1-ylmethyl propanoate
PubChem CID151956933
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepiperazin-1-ylmethyl propanoate
SMILESCCC(=O)OCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-8(11)12-7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyTXVJKJQPZNILRP-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(piperazin-1-ylmethyl) oxalate
CID 175248939
piperazin-1-yl propanoate
CID 12863406
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
piperazin-1-ylmethyl 2-phenylpropanoate
CID 90094069
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54969010
[2-ethyl-2-(3-piperazin-1-ylpropanoyloxymethyl)butyl] 3-piperazin-1-ylpropanoate
CID 143370344

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylmethyl propanoate?
The IUPAC name of piperazin-1-ylmethyl propanoate (CID 151956933) is piperazin-1-ylmethyl propanoate.
What is the SMILES notation for piperazin-1-ylmethyl propanoate?
The canonical SMILES for piperazin-1-ylmethyl propanoate is CCC(=O)OCN1CCNCC1.
What is the InChIKey of piperazin-1-ylmethyl propanoate?
The InChIKey is TXVJKJQPZNILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-8(11)12-7-10-5-3-9-4-6-10/h9H,2-7H2,1H3.
What are the key properties of piperazin-1-ylmethyl propanoate?
piperazin-1-ylmethyl propanoate has a molecular weight of 172.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethyl propanoate is sourced from PubChem (CID 151956933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).