4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine

C12H24FN — CID 58394537

IUPAC4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine
SMILESCC(CF)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24FN/c1-10(9-13)14-7-5-11(6-8-14)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyDPBFOOMLCSPMHA-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.10
Rot. Bonds2

About 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine

4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine (PubChem CID 58394537) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine
PubChem CID58394537
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine
SMILESCC(CF)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24FN/c1-10(9-13)14-7-5-11(6-8-14)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyDPBFOOMLCSPMHA-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine?
The IUPAC name of 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine (CID 58394537) is 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine is CC(CF)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine?
The InChIKey is DPBFOOMLCSPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-10(9-13)14-7-5-11(6-8-14)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine?
4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine has a molecular weight of 201.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-fluoropropan-2-yl)piperidine is sourced from PubChem (CID 58394537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).