4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine

C15H27N3 — CID 58394659

IUPAC4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine
SMILESCCn1nccc1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27N3/c1-5-18-14(6-9-16-18)12-17-10-7-13(8-11-17)15(2,3)4/h6,9,13H,5,7-8,10-12H2,1-4H3
InChIKeyNDTAFPXEIGZAQY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.16
Rot. Bonds3

About 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine

4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine (PubChem CID 58394659) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine
PubChem CID58394659
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine
SMILESCCn1nccc1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27N3/c1-5-18-14(6-9-16-18)12-17-10-7-13(8-11-17)15(2,3)4/h6,9,13H,5,7-8,10-12H2,1-4H3
InChIKeyNDTAFPXEIGZAQY-UHFFFAOYSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine (CID 58394659) is 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine is CCn1nccc1CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine?
The InChIKey is NDTAFPXEIGZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18-14(6-9-16-18)12-17-10-7-13(8-11-17)15(2,3)4/h6,9,13H,5,7-8,10-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine?
4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2-ethylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 58394659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).