tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate

C14H22FN3O2 — CID 123704592

IUPACtert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2F)c1
InChIInChI=1S/C14H22FN3O2/c1-10-7-16-18(8-10)12-5-6-17(9-11(12)15)13(19)20-14(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3
InChIKeyUZJPFZAJMSIZTD-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.71
Rot. Bonds1

About tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 123704592) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID123704592
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Nametert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2F)c1
InChIInChI=1S/C14H22FN3O2/c1-10-7-16-18(8-10)12-5-6-17(9-11(12)15)13(19)20-14(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3
InChIKeyUZJPFZAJMSIZTD-UHFFFAOYSA-N
XLogP2.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)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-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480278
tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
CID 45480279
tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
tert-butyl 4-((4-bromo-1H-pyrazol-1-yl)methyl)piperidine-1-carboxylate
CID 67084521
tert-butyl 4-(4-formyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 86810415
1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate
CID 122241582
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
Tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827321
tert-Butyl 4-[(4-Ethynyl-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139210994
Tert-butyl 1-(4-fluoropyrazol-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162401328
tert-butyl 4-methyl-1H-pyrazole-1-carboxylate
CID 23021524
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480389

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate (CID 123704592) is tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate is Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2F)c1.
What is the InChIKey of tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is UZJPFZAJMSIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-10-7-16-18(8-10)12-5-6-17(9-11(12)15)13(19)20-14(2,3)4/h7-8,11-12H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123704592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).