4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine

C16H28FN3 — CID 167661810

IUPAC4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine
SMILESCc1cc(C(C)(C)C)n(C2CCN(CC(C)F)CC2)n1
InChIInChI=1S/C16H28FN3/c1-12(17)11-19-8-6-14(7-9-19)20-15(16(3,4)5)10-13(2)18-20/h10,12,14H,6-9,11H2,1-5H3
InChIKeyJXEBBQFDSSSLSY-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.48
Rot. Bonds3

About 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine

4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine (PubChem CID 167661810) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine
PubChem CID167661810
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine
SMILESCc1cc(C(C)(C)C)n(C2CCN(CC(C)F)CC2)n1
InChIInChI=1S/C16H28FN3/c1-12(17)11-19-8-6-14(7-9-19)20-15(16(3,4)5)10-13(2)18-20/h10,12,14H,6-9,11H2,1-5H3
InChIKeyJXEBBQFDSSSLSY-UHFFFAOYSA-N
XLogP3.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine?
The IUPAC name of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine (CID 167661810) is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine.
What is the SMILES notation for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine?
The canonical SMILES for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine is Cc1cc(C(C)(C)C)n(C2CCN(CC(C)F)CC2)n1.
What is the InChIKey of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine?
The InChIKey is JXEBBQFDSSSLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-12(17)11-19-8-6-14(7-9-19)20-15(16(3,4)5)10-13(2)18-20/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine?
4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine has a molecular weight of 281.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine is sourced from PubChem (CID 167661810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).