tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate

C13H21N3O3 — CID 54138196

IUPACtert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O3/c1-12(2,3)19-11(17)16-6-4-13(18,5-7-16)10-8-14-15-9-10/h8-9,18H,4-7H2,1-3H3,(H,14,15)
InChIKeyNZFCVQMXZOJJIA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 54138196) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
PubChem CID54138196
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O3/c1-12(2,3)19-11(17)16-6-4-13(18,5-7-16)10-8-14-15-9-10/h8-9,18H,4-7H2,1-3H3,(H,14,15)
InChIKeyNZFCVQMXZOJJIA-UHFFFAOYSA-N
XLogP1.63
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate (CID 54138196) is tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2cn[nH]c2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is NZFCVQMXZOJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-12(2,3)19-11(17)16-6-4-13(18,5-7-16)10-8-14-15-9-10/h8-9,18H,4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54138196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).