4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine

C12H24FN — CID 122533122

IUPAC4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)CC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C12H24FN/c1-10(2)9-12(13)5-7-14(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyQAZCGLHLGWVPRM-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.24
Rot. Bonds3

About 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine

4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine (PubChem CID 122533122) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine
PubChem CID122533122
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)CC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C12H24FN/c1-10(2)9-12(13)5-7-14(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyQAZCGLHLGWVPRM-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine (CID 122533122) is 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine is CC(C)CC1(F)CCN(C(C)C)CC1.
What is the InChIKey of 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine?
The InChIKey is QAZCGLHLGWVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-10(2)9-12(13)5-7-14(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine?
4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine has a molecular weight of 201.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methylpropyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 122533122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).