methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate

C13H26N2O2 — CID 61432891

IUPACmethyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(12(16)17-5)10-14-6-8-15(9-7-14)13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyJTELCQRDSQTMFQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds3

About methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate

methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate (PubChem CID 61432891) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
PubChem CID61432891
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(12(16)17-5)10-14-6-8-15(9-7-14)13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyJTELCQRDSQTMFQ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
CID 154186971
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
methyl 3-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79621520
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate (CID 61432891) is methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate is COC(=O)C(C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate?
The InChIKey is JTELCQRDSQTMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12(16)17-5)10-14-6-8-15(9-7-14)13(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate?
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 61432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).