tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 91604925

IUPACtert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-6-11(7-10-17)12-5-8-15-16(12)4/h5,8,11H,6-7,9-10H2,1-4H3
InChIKeyCAJIXULNKIFWHU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 91604925) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID91604925
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-6-11(7-10-17)12-5-8-15-16(12)4/h5,8,11H,6-7,9-10H2,1-4H3
InChIKeyCAJIXULNKIFWHU-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate (CID 91604925) is tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate is Cn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is CAJIXULNKIFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-6-11(7-10-17)12-5-8-15-16(12)4/h5,8,11H,6-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 91604925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).