tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate

C15H25N3O2 — CID 168903725

IUPACtert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate
SMILESCC(c1cn[nH]c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-11(13-9-16-17-10-13)12-5-7-18(8-6-12)14(19)20-15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17)
InChIKeyBECOKJGFLUZANM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate (PubChem CID 168903725) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate
PubChem CID168903725
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate
SMILESCC(c1cn[nH]c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-11(13-9-16-17-10-13)12-5-7-18(8-6-12)14(19)20-15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17)
InChIKeyBECOKJGFLUZANM-UHFFFAOYSA-N
XLogP3.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(1H-pyrazol-4-yl)Piperidine
CID 83404347
t-Butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 3-(1H-pyrazol-4-yl)azetidine-1-carboxylate
CID 165641857
4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine
CID 71869030
tert-butyl 4-(5-fluoro-1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 178534229
tert-butyl 4,4-difluoro-3-(2-methyl-1H-pyrazol-2-ium-4-yl)piperidine-1-carboxylate
CID 178926812
3-Ethyl-4-(N-t-butoxycarbonylpiperid-4-yl)-1H-pyrazole
CID 18187657
tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 54138196
tert-butyl 3-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 67996186
tert-Butyl 4-(3-amino-1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 68328265
1-Methyl-3-(1H-pyrazol-4-yl)piperidine
CID 83404471
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate (CID 168903725) is tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate is CC(c1cn[nH]c1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is BECOKJGFLUZANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(13-9-16-17-10-13)12-5-7-18(8-6-12)14(19)20-15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 168903725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).