3-methylpentan-3-yl 2-piperazin-1-ylacetate

C12H24N2O2 — CID 169025399

IUPAC3-methylpentan-3-yl 2-piperazin-1-ylacetate
SMILESCCC(C)(CC)OC(=O)CN1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,5-2)16-11(15)10-14-8-6-13-7-9-14/h13H,4-10H2,1-3H3
InChIKeyACJZRTGKXJHWTG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About 3-methylpentan-3-yl 2-piperazin-1-ylacetate

3-methylpentan-3-yl 2-piperazin-1-ylacetate (PubChem CID 169025399) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methylpentan-3-yl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Name3-methylpentan-3-yl 2-piperazin-1-ylacetate
PubChem CID169025399
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methylpentan-3-yl 2-piperazin-1-ylacetate
SMILESCCC(C)(CC)OC(=O)CN1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,5-2)16-11(15)10-14-8-6-13-7-9-14/h13H,4-10H2,1-3H3
InChIKeyACJZRTGKXJHWTG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;1,5-diazacyclododecane;1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 167628059
tert-butyl 2-[4-(4-methyl-2-oxopent-3-enyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 70971706
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
dimethyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanedioate
CID 71196259
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
bis(3-methylpentan-3-yl) butanedioate
CID 141267008
pyrrolidin-1-yl 2-piperazin-1-ylacetate
CID 69133633
ethane;2-piperazin-1-ylacetic acid
CID 143723779

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl 2-piperazin-1-ylacetate?
The IUPAC name of 3-methylpentan-3-yl 2-piperazin-1-ylacetate (CID 169025399) is 3-methylpentan-3-yl 2-piperazin-1-ylacetate.
What is the SMILES notation for 3-methylpentan-3-yl 2-piperazin-1-ylacetate?
The canonical SMILES for 3-methylpentan-3-yl 2-piperazin-1-ylacetate is CCC(C)(CC)OC(=O)CN1CCNCC1.
What is the InChIKey of 3-methylpentan-3-yl 2-piperazin-1-ylacetate?
The InChIKey is ACJZRTGKXJHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(3,5-2)16-11(15)10-14-8-6-13-7-9-14/h13H,4-10H2,1-3H3.
What are the key properties of 3-methylpentan-3-yl 2-piperazin-1-ylacetate?
3-methylpentan-3-yl 2-piperazin-1-ylacetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl 2-piperazin-1-ylacetate is sourced from PubChem (CID 169025399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).