tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate

C16H25N3O3 — CID 155469930

IUPACtert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2cc(C=O)cn2)CC1(C)C
InChIInChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-7-6-13(8-16(18,4)5)19-10-12(11-20)9-17-19/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyVIVKYJMSLGNUMS-CYBMUJFWSA-N
MW307.39 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate

tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate (PubChem CID 155469930) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate
PubChem CID155469930
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2cc(C=O)cn2)CC1(C)C
InChIInChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-7-6-13(8-16(18,4)5)19-10-12(11-20)9-17-19/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyVIVKYJMSLGNUMS-CYBMUJFWSA-N
XLogP3.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 137533174
CID 137533174
CID 137533220
CID 137533220
CID 53485897
CID 53485897
CID 86810415
CID 86810415
CID 105509268
CID 105509268
CID 126818100
CID 126818100
CID 139535640
CID 139535640
CID 139535641
CID 139535641
CID 155194465
CID 155194465
CID 155194587
CID 155194587
CID 155469899
CID 155469899
CID 155673251
CID 155673251

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate (CID 155469930) is tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](n2cc(C=O)cn2)CC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is VIVKYJMSLGNUMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-7-6-13(8-16(18,4)5)19-10-12(11-20)9-17-19/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate?
tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 155469930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).