tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate

C14H22FN3O2 — CID 139500307

IUPACtert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cn2cc(F)cn2)C1
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-6-4-5-11(8-17)9-18-10-12(15)7-16-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBYACLTFRTNBXLC-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate

tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 139500307) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID139500307
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Nametert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cn2cc(F)cn2)C1
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-6-4-5-11(8-17)9-18-10-12(15)7-16-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBYACLTFRTNBXLC-UHFFFAOYSA-N
XLogP2.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
tert-butyl 3-[[4-(2-cyanophenoxy)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166174676
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl 3-[(3,5-difluoro-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 135135166
tert-butyl (3R)-3-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 155740342
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-[(2,4,6-trifluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902538
tert-butyl 3-[(4-piperidin-4-ylpyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 122240953
tert-butyl (3R)-3-[(4-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylate
CID 159445241
tert-butyl 3-[(5-methylimidazol-1-yl)methyl]azepane-1-carboxylate
CID 101211732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate (CID 139500307) is tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Cn2cc(F)cn2)C1.
What is the InChIKey of tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is BYACLTFRTNBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-6-4-5-11(8-17)9-18-10-12(15)7-16-18/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 139500307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).