tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate

C14H23N3O2 — CID 121305409

IUPACtert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyTUOUIPGDTJUVPA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds2

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

tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 121305409) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate
PubChem CID121305409
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyTUOUIPGDTJUVPA-UHFFFAOYSA-N
XLogP2.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

t-Butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
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
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840
tert-butyl (2S)-2-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 96084996
tert-butyl 4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117607384
4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid
CID 121305419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate (CID 121305409) is tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1.
What is the InChIKey of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is TUOUIPGDTJUVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12/h9-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 121305409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).