tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate

C19H25N3O2 — CID 156557842

IUPACtert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
SMILESCC1CN(c2cccc3cccnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25N3O2/c1-14-13-21(11-12-22(14)18(23)24-19(2,3)4)16-9-5-7-15-8-6-10-20-17(15)16/h5-10,14H,11-13H2,1-4H3
InChIKeyPUOGSKYABOKXGI-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.68
Rot. Bonds1

About tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate

tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate (PubChem CID 156557842) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
PubChem CID156557842
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
SMILESCC1CN(c2cccc3cccnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25N3O2/c1-14-13-21(11-12-22(14)18(23)24-19(2,3)4)16-9-5-7-15-8-6-10-20-17(15)16/h5-10,14H,11-13H2,1-4H3
InChIKeyPUOGSKYABOKXGI-UHFFFAOYSA-N
XLogP3.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-4-(6-bromo-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 86329596
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094
tert-butyl (2S)-4-(2-chloro-3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 131996968
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl 4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylpiperazine-1-carboxylate
CID 177040055
tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl (2R)-4-(2-chloropyridine-3-carbonyl)-2-methylpiperazine-1-carboxylate
CID 86331566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate (CID 156557842) is tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate is CC1CN(c2cccc3cccnc23)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate?
The InChIKey is PUOGSKYABOKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-13-21(11-12-22(14)18(23)24-19(2,3)4)16-9-5-7-15-8-6-10-20-17(15)16/h5-10,14H,11-13H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate?
tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate is sourced from PubChem (CID 156557842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).