propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate

C14H23N3O2 — CID 56888488

IUPACpropan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C14H23N3O2/c1-12(2)19-14(18)17-10-4-3-6-13(17)7-11-16-9-5-8-15-16/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyJAFRHFGWODWWTE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.67
Rot. Bonds4

About propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate

propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate (PubChem CID 56888488) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate
PubChem CID56888488
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namepropan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C14H23N3O2/c1-12(2)19-14(18)17-10-4-3-6-13(17)7-11-16-9-5-8-15-16/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyJAFRHFGWODWWTE-UHFFFAOYSA-N
XLogP2.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10030012, Example 81
CID 78318447
US10030012, Example 82
CID 78318448
US10030012, Example 4
CID 78318736
tert-butyl 4-(3-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 68523095
1-(3-ethoxypropanoyl)-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70746805
1-(4-Methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71943645
ethyl 4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinecarboxylate
CID 72939762
tert-Butyl 4-[2-(1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 52903976
US10030012, Example 29
CID 78318935
ethyl 4-(2-(1H-pyrazol-1-yl)ethyl)piperazine-1-carboxylate
CID 52331543
Ethyl 4-(pyrazol-1-ylmethyl)piperidine-1-carboxylate
CID 52906705
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480389

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate (CID 56888488) is propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCCCC1CCn1cccn1.
What is the InChIKey of propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate?
The InChIKey is JAFRHFGWODWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12(2)19-14(18)17-10-4-3-6-13(17)7-11-16-9-5-8-15-16/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate?
propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-pyrazol-1-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 56888488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).