tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate

C20H33N3O2 — CID 168992441

IUPACtert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CC)c1CC
InChIInChI=1S/C20H33N3O2/c1-7-15-14-18(21-17(9-3)16(15)8-2)22-10-12-23(13-11-22)19(24)25-20(4,5)6/h14H,7-13H2,1-6H3
InChIKeyNXMBOSMAXPORFC-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 168992441) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID168992441
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CC)c1CC
InChIInChI=1S/C20H33N3O2/c1-7-15-14-18(21-17(9-3)16(15)8-2)22-10-12-23(13-11-22)19(24)25-20(4,5)6/h14H,7-13H2,1-6H3
InChIKeyNXMBOSMAXPORFC-UHFFFAOYSA-N
XLogP3.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate 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

2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-(6-bromo-2-ethylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 104933625
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
CID 150003541
tert-butyl 4-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 166460288
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
tert-butyl 4-(4-fluoro-6-trimethylstannyl-2-pyridinyl)piperazine-1-carboxylate
CID 178042562
tert-butyl 4-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 88860765
tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate
CID 23401058
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-[4-(aminomethyl)-6-methyl-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 104969562

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate (CID 168992441) is tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate is CCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CC)c1CC.
What is the InChIKey of tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is NXMBOSMAXPORFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-15-14-18(21-17(9-3)16(15)8-2)22-10-12-23(13-11-22)19(24)25-20(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 347.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 168992441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).