cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate

C16H22BrN3O2 — CID 91041255

IUPACcyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C16H22BrN3O2/c17-13-9-18-16(19-10-13)20-8-4-5-12(11-20)15(21)22-14-6-2-1-3-7-14/h9-10,12,14H,1-8,11H2
InChIKeyZZEGYIKLZSDQHV-UHFFFAOYSA-N
MW368.28 g/mol
LogP3.33
Rot. Bonds3

About cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate

cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate (PubChem CID 91041255) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
PubChem CID91041255
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Namecyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C16H22BrN3O2/c17-13-9-18-16(19-10-13)20-8-4-5-12(11-20)15(21)22-14-6-2-1-3-7-14/h9-10,12,14H,1-8,11H2
InChIKeyZZEGYIKLZSDQHV-UHFFFAOYSA-N
XLogP3.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989
cyclooctyl cyclooctanecarboxylate
CID 57160377
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate?
The IUPAC name of cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate (CID 91041255) is cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate is O=C(OC1CCCCC1)C1CCCN(c2ncc(Br)cn2)C1.
What is the InChIKey of cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate?
The InChIKey is ZZEGYIKLZSDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-13-9-18-16(19-10-13)20-8-4-5-12(11-20)15(21)22-14-6-2-1-3-7-14/h9-10,12,14H,1-8,11H2.
What are the key properties of cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate?
cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate has a molecular weight of 368.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 91041255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).