4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

C12H25FN2 — CID 167126903

IUPAC4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCC(F)C(N)C1
InChIInChI=1S/C12H25FN2/c1-4-7-12(3,5-2)15-8-6-10(13)11(14)9-15/h10-11H,4-9,14H2,1-3H3
InChIKeyVTVIEBFMTKDVAS-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.33
Rot. Bonds4

About 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (PubChem CID 167126903) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
PubChem CID167126903
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCC(F)C(N)C1
InChIInChI=1S/C12H25FN2/c1-4-7-12(3,5-2)15-8-6-10(13)11(14)9-15/h10-11H,4-9,14H2,1-3H3
InChIKeyVTVIEBFMTKDVAS-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The IUPAC name of 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (CID 167126903) is 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.
What is the SMILES notation for 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The canonical SMILES for 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is CCCC(C)(CC)N1CCC(F)C(N)C1.
What is the InChIKey of 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The InChIKey is VTVIEBFMTKDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-4-7-12(3,5-2)15-8-6-10(13)11(14)9-15/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine has a molecular weight of 216.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is sourced from PubChem (CID 167126903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).