tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate

C15H23N3O3 — CID 178116381

IUPACtert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate
SMILESC[C@H]1CC(C(=O)OC(C)(C)C)CCN1c1ncc(O)cn1
InChIInChI=1S/C15H23N3O3/c1-10-7-11(13(20)21-15(2,3)4)5-6-18(10)14-16-8-12(19)9-17-14/h8-11,19H,5-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyHBNOFKOMUATAOM-VUWPPUDQSA-N
MW293.37 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate

tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate (PubChem CID 178116381) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate
PubChem CID178116381
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate
SMILESC[C@H]1CC(C(=O)OC(C)(C)C)CCN1c1ncc(O)cn1
InChIInChI=1S/C15H23N3O3/c1-10-7-11(13(20)21-15(2,3)4)5-6-18(10)14-16-8-12(19)9-17-14/h8-11,19H,5-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyHBNOFKOMUATAOM-VUWPPUDQSA-N
XLogP2.13
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate
CID 90046862
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
[2-(4-Ethoxycarbonyl-4-fluoropiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793898
Ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate
CID 137356965
[2-(4-Methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793899
[2-(4-Ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793904
[2-(4-Ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793909
[2-(4-Hydroxy-4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793913
[2-(4-Ethyl-4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793914
[2-(4-Methoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142799088
[2-(4-Methoxycarbonyl-4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142799090
[2-(4-Methoxy-4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142799092

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate (CID 178116381) is tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate is C[C@H]1CC(C(=O)OC(C)(C)C)CCN1c1ncc(O)cn1.
What is the InChIKey of tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate?
The InChIKey is HBNOFKOMUATAOM-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-11(13(20)21-15(2,3)4)5-6-18(10)14-16-8-12(19)9-17-14/h8-11,19H,5-7H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate?
tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 178116381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).