tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate

C16H26N4O2 — CID 168888213

IUPACtert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cnc1N
InChIInChI=1S/C16H26N4O2/c1-11-8-13(9-18-14(11)17)19-6-7-20(12(2)10-19)15(21)22-16(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H2,17,18)/t12-/m0/s1
InChIKeyOZEHUWOHLXDSKV-LBPRGKRZSA-N
MW306.41 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate

tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate (PubChem CID 168888213) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate
PubChem CID168888213
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cnc1N
InChIInChI=1S/C16H26N4O2/c1-11-8-13(9-18-14(11)17)19-6-7-20(12(2)10-19)15(21)22-16(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H2,17,18)/t12-/m0/s1
InChIKeyOZEHUWOHLXDSKV-LBPRGKRZSA-N
XLogP2.42
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094
tert-butyl (2S)-4-(3,5-difluorophenyl)-2-methylpiperazine-1-carboxylate
CID 134498190
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 67371513
tert-butyl 4-[6-[[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylprop-1-enyl]amino]-5-methyl-3-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 168888282
tert-butyl (2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 167442296
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl (2R)-2-methyl-4-(5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate
CID 176915229

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate (CID 168888213) is tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate is Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cnc1N.
What is the InChIKey of tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate?
The InChIKey is OZEHUWOHLXDSKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-8-13(9-18-14(11)17)19-6-7-20(12(2)10-19)15(21)22-16(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H2,17,18)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate?
tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 168888213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).