tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate

C16H32N4O2 — CID 141377399

IUPACtert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCN1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-13-11-19(12-14-20)10-9-18-7-5-17(4)6-8-18/h5-14H2,1-4H3
InChIKeyAPOLXHFRIPQCKL-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.79
Rot. Bonds3

About tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 141377399) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID141377399
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCN1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-13-11-19(12-14-20)10-9-18-7-5-17(4)6-8-18/h5-14H2,1-4H3
InChIKeyAPOLXHFRIPQCKL-UHFFFAOYSA-N
XLogP0.79
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbothioyl]disulfanyl]carbothioylpiperazine-1-carboxylate
CID 77846679
1,4-Bis(1,1-dimethylethyl) 1,4-piperazinedicarboxylate
CID 545824
Tert-butyl 4-[2-(piperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 19420472
Tert-butyl 4-[4-(piperazin-1-yl)butyl]piperazine-1-carboxylate
CID 155937636
1-Boc-4-methylpiperazine
CID 11401394
Tert-butyl 4-propylpiperazine-1-carboxylate
CID 21363954
Tert-butyl 4-(1-propan-2-ylpiperidin-3-yl)piperazine-1-carboxylate
CID 71875764
Tert-butyl 4-(2-azidoethyl)piperazine-1-carboxylate
CID 11288306
4-[[4-(1,1-Dimethylethoxycarbonyl)-1-piperazinyl]carbonyl]-1-methylpiperazine
CID 18321587
Tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
Tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate
CID 20872285
tert-Butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate (CID 141377399) is tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate is CN1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is APOLXHFRIPQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-13-11-19(12-14-20)10-9-18-7-5-17(4)6-8-18/h5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 141377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).