tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate

C14H28N2O2 — CID 66338891

IUPACtert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
SMILESCCC1CN(C(C)C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C14H28N2O2/c1-7-12-10-16(9-8-15(12)6)11(2)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyYGJZMHPMJMBXSN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate

tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate (PubChem CID 66338891) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
PubChem CID66338891
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
SMILESCCC1CN(C(C)C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C14H28N2O2/c1-7-12-10-16(9-8-15(12)6)11(2)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyYGJZMHPMJMBXSN-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
CID 113415029
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
tert-butyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199990
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
CID 64688531
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate (CID 66338891) is tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate is CCC1CN(C(C)C(=O)OC(C)(C)C)CCN1C.
What is the InChIKey of tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate?
The InChIKey is YGJZMHPMJMBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-12-10-16(9-8-15(12)6)11(2)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate?
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 66338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).