tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate

C16H26N4O2 — CID 136839848

IUPACtert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCNc3nccn32)C1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-9-4-5-12(11-19)13-6-7-17-14-18-8-10-20(13)14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,18)
InChIKeyHIACBTLYUIICGK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.89
Rot. Bonds1

About tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate

tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 136839848) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID136839848
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCNc3nccn32)C1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-9-4-5-12(11-19)13-6-7-17-14-18-8-10-20(13)14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,18)
InChIKeyHIACBTLYUIICGK-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 136840371
tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 136709278
tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 125041566
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
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tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
CID 70223224
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tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
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tert-butyl 3-pyrimidin-2-ylsulfanylpiperidine-1-carboxylate
CID 71302839
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylate
CID 171137586
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 136839848) is tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2CCNc3nccn32)C1.
What is the InChIKey of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is HIACBTLYUIICGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-9-4-5-12(11-19)13-6-7-17-14-18-8-10-20(13)14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate?
tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 136839848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).