tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate

C17H29N3O3 — CID 103916074

IUPACtert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
SMILESCCC1(OCCn2cccn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3/c1-5-17(22-14-13-20-10-6-9-18-20)7-11-19(12-8-17)15(21)23-16(2,3)4/h6,9-10H,5,7-8,11-14H2,1-4H3
InChIKeySXCRRRJRSHSYTA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate

tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate (PubChem CID 103916074) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
PubChem CID103916074
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
SMILESCCC1(OCCn2cccn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3/c1-5-17(22-14-13-20-10-6-9-18-20)7-11-19(12-8-17)15(21)23-16(2,3)4/h6,9-10H,5,7-8,11-14H2,1-4H3
InChIKeySXCRRRJRSHSYTA-UHFFFAOYSA-N
XLogP3.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056
tert-butyl 4-ethyl-4-(4,4,4-trifluorobutoxy)piperidine-1-carboxylate
CID 103916044
tert-butyl 4-[3-(dimethylamino)-3-oxopropoxy]-4-ethylpiperidine-1-carboxylate
CID 103916049
tert-butyl 4-ethyl-4-(4-methoxy-4-oxobutoxy)piperidine-1-carboxylate
CID 106940667
tert-butyl 3-but-3-ynoxy-3-ethylpyrrolidine-1-carboxylate
CID 83207573
tert-butyl 3-ethyl-3-(5-hydroxypentoxy)pyrrolidine-1-carboxylate
CID 106938792
tert-butyl 3-ethyl-3-(3-ethylsulfonylpropoxy)pyrrolidine-1-carboxylate
CID 103916177
tert-butyl 3-(hydroxymethyl)-3-propoxypyrrolidine-1-carboxylate
CID 165494931

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate (CID 103916074) is tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate is CCC1(OCCn2cccn2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate?
The InChIKey is SXCRRRJRSHSYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-5-17(22-14-13-20-10-6-9-18-20)7-11-19(12-8-17)15(21)23-16(2,3)4/h6,9-10H,5,7-8,11-14H2,1-4H3.
What are the key properties of tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 103916074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).