tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate

C15H20N4O2 — CID 162376246

IUPACtert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(C#N)ncn2)CC1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)11-4-6-19(7-5-11)13-8-12(9-16)17-10-18-13/h8,10-11H,4-7H2,1-3H3
InChIKeyARMUJLQMITXQND-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate

tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 162376246) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID162376246
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(C#N)ncn2)CC1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)11-4-6-19(7-5-11)13-8-12(9-16)17-10-18-13/h8,10-11H,4-7H2,1-3H3
InChIKeyARMUJLQMITXQND-UHFFFAOYSA-N
XLogP1.91
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
CID 162376577
tert-butyl 1-(6-isocyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 168838987
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate;1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877328
6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 168959394
1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295
tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
CID 139550884
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate (CID 162376246) is tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2cc(C#N)ncn2)CC1.
What is the InChIKey of tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is ARMUJLQMITXQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)11-4-6-19(7-5-11)13-8-12(9-16)17-10-18-13/h8,10-11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate?
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).