tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 175471053

IUPACtert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCCN2C(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-11-10-13(17(5)16-11)12-8-6-7-9-18(12)14(19)20-15(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyZDXVJZRRJFHVLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.19
Rot. Bonds1

About tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 175471053) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID175471053
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCCN2C(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-11-10-13(17(5)16-11)12-8-6-7-9-18(12)14(19)20-15(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyZDXVJZRRJFHVLM-UHFFFAOYSA-N
XLogP3.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-methylpiperidine-1-carboxylate;ethane
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tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
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tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl (2S)-2-(5-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 90201594
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
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tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 58029963
tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate (CID 175471053) is tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate is Cc1cc(C2CCCCN2C(=O)OC(C)(C)C)n(C)n1.
What is the InChIKey of tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is ZDXVJZRRJFHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-10-13(17(5)16-11)12-8-6-7-9-18(12)14(19)20-15(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175471053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).