tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate

C17H27N3O2 — CID 172908006

IUPACtert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCc1ccncc1CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-5-7-18-13-15(14)6-8-19-9-11-20(12-10-19)16(21)22-17(2,3)4/h5,7,13H,6,8-12H2,1-4H3
InChIKeyZMEGNPHULIIVGP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate (PubChem CID 172908006) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
PubChem CID172908006
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCc1ccncc1CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-5-7-18-13-15(14)6-8-19-9-11-20(12-10-19)16(21)22-17(2,3)4/h5,7,13H,6,8-12H2,1-4H3
InChIKeyZMEGNPHULIIVGP-UHFFFAOYSA-N
XLogP2.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-[2-[(3-amino-4-pyridinyl)methylamino]ethyl]piperazine-1-carboxylate
CID 90413831
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
tert-butyl 4-[2-(2-bromo-5-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 171934532
tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate
CID 89451428
tert-butyl 4-[3-(3-methylthiophen-2-yl)propyl]piperazine-1-carboxylate
CID 112718187
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperazine-1-carboxylate
CID 168514165
tert-butyl 4-[(5-amino-2-methylphenyl)methyl]piperazine-1-carboxylate
CID 68628215
tert-butyl 4-[(2,5-dimethyl-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 140551070
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate (CID 172908006) is tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate is Cc1ccncc1CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate?
The InChIKey is ZMEGNPHULIIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-5-7-18-13-15(14)6-8-19-9-11-20(12-10-19)16(21)22-17(2,3)4/h5,7,13H,6,8-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 172908006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).