tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate

C17H29N3O3 — CID 104928490

IUPACtert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)n1ccc(CC2CN(C(=O)OC(C)(C)C)CCC2O)n1
InChIInChI=1S/C17H29N3O3/c1-12(2)20-9-6-14(18-20)10-13-11-19(8-7-15(13)21)16(22)23-17(3,4)5/h6,9,12-13,15,21H,7-8,10-11H2,1-5H3
InChIKeyPOPMXUKHFQXWJY-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate (PubChem CID 104928490) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate
PubChem CID104928490
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)n1ccc(CC2CN(C(=O)OC(C)(C)C)CCC2O)n1
InChIInChI=1S/C17H29N3O3/c1-12(2)20-9-6-14(18-20)10-13-11-19(8-7-15(13)21)16(22)23-17(3,4)5/h6,9,12-13,15,21H,7-8,10-11H2,1-5H3
InChIKeyPOPMXUKHFQXWJY-UHFFFAOYSA-N
XLogP2.62
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate (CID 104928490) is tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate is CC(C)n1ccc(CC2CN(C(=O)OC(C)(C)C)CCC2O)n1.
What is the InChIKey of tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate?
The InChIKey is POPMXUKHFQXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12(2)20-9-6-14(18-20)10-13-11-19(8-7-15(13)21)16(22)23-17(3,4)5/h6,9,12-13,15,21H,7-8,10-11H2,1-5H3.
What are the key properties of tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104928490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).