ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate

C13H26N2O2 — CID 159242052

IUPACethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-6-17-12(16)10-14-7-8-15(11(2)9-14)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyKUFIGFOBCKIZDC-LLVKDONJSA-N
MW242.36 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate

ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate (PubChem CID 159242052) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
PubChem CID159242052
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-6-17-12(16)10-14-7-8-15(11(2)9-14)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyKUFIGFOBCKIZDC-LLVKDONJSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
tert-butyl (2R)-4-(3-ethoxy-3-oxopropyl)-2-methylpiperazine-1-carboxylate
CID 130211602
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
ethyl 2-(azocan-1-yl)acetate
CID 25219274
(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 121261181

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate (CID 159242052) is ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(C)(C)C)[C@H](C)C1.
What is the InChIKey of ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate?
The InChIKey is KUFIGFOBCKIZDC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-17-12(16)10-14-7-8-15(11(2)9-14)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate?
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate is sourced from PubChem (CID 159242052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).