tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate

C17H29N3O3 — CID 69192840

IUPACtert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
SMILESCc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)(C)O)n1
InChIInChI=1S/C17H29N3O3/c1-12-11-20(14(18-12)17(5,6)22)13-7-9-19(10-8-13)15(21)23-16(2,3)4/h11,13,22H,7-10H2,1-6H3
InChIKeyNTSXSJWDMAJWCG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate (PubChem CID 69192840) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
PubChem CID69192840
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
SMILESCc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)(C)O)n1
InChIInChI=1S/C17H29N3O3/c1-12-11-20(14(18-12)17(5,6)22)13-7-9-19(10-8-13)15(21)23-16(2,3)4/h11,13,22H,7-10H2,1-6H3
InChIKeyNTSXSJWDMAJWCG-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate
CID 169288511
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
tert-butyl 4-[2-cyclopropyl-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 90240395
tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
tert-butyl 4-[1-(3-fluoro-6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960702
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate (CID 69192840) is tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate is Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)(C)O)n1.
What is the InChIKey of tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is NTSXSJWDMAJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12-11-20(14(18-12)17(5,6)22)13-7-9-19(10-8-13)15(21)23-16(2,3)4/h11,13,22H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69192840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).