tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate

C15H23N3O2 — CID 70570904

IUPACtert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
SMILESCc1ccncc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O2/c1-12-5-6-16-11-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyHQVJOHYUWQIZQA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate (PubChem CID 70570904) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
PubChem CID70570904
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
SMILESCc1ccncc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O2/c1-12-5-6-16-11-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyHQVJOHYUWQIZQA-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
CID 172908006
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
bis(tert-butyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate);oxolane
CID 158025291
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
CID 169219695
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate (CID 70570904) is tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate is Cc1ccncc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate?
The InChIKey is HQVJOHYUWQIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-5-6-16-11-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 70570904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).