tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate

C14H23N3O2 — CID 75481386

IUPACtert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)10-12-4-7-15-16-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16)
InChIKeyMFMDKWJXGADUQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate (PubChem CID 75481386) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
PubChem CID75481386
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)10-12-4-7-15-16-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16)
InChIKeyMFMDKWJXGADUQC-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

tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl 4-[(5-iodo-1H-pyrazol-4-yl)methyl]piperidine-1-carboxylate
CID 121305491
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl 3,3-dimethyl-5-(1H-pyrazol-5-ylmethylamino)azepane-1-carboxylate
CID 154734047
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 124907891
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
tert-butyl 4-[[4-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate (CID 75481386) is tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2ccn[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate?
The InChIKey is MFMDKWJXGADUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)10-12-4-7-15-16-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(1H-pyrazol-5-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-5-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 75481386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).