tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate

C15H23N3O2 — CID 162726086

IUPACtert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2ncccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-10-6-15(4,7-11-18)12-16-8-5-9-17-12/h5,8-9H,6-7,10-11H2,1-4H3
InChIKeyWHKRLMHEPAHMCF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate

tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate (PubChem CID 162726086) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
PubChem CID162726086
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2ncccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-10-6-15(4,7-11-18)12-16-8-5-9-17-12/h5,8-9H,6-7,10-11H2,1-4H3
InChIKeyWHKRLMHEPAHMCF-UHFFFAOYSA-N
XLogP2.77
TPSA55.32 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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
CID 176821528
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
2-bromopyridine;tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-pyridin-2-yloxypiperidine-1-carboxylate
CID 162176362
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate (CID 162726086) is tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(c2ncccn2)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The InChIKey is WHKRLMHEPAHMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-10-6-15(4,7-11-18)12-16-8-5-9-17-12/h5,8-9H,6-7,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate?
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 162726086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).