4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

C12H24F2N2 — CID 167126951

IUPAC4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCC(F)(F)C(N)C1
InChIInChI=1S/C12H24F2N2/c1-4-6-11(3,5-2)16-8-7-12(13,14)10(15)9-16/h10H,4-9,15H2,1-3H3
InChIKeyWHEIKNGOSZGALJ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.62
Rot. Bonds4

About 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (PubChem CID 167126951) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
PubChem CID167126951
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCC(F)(F)C(N)C1
InChIInChI=1S/C12H24F2N2/c1-4-6-11(3,5-2)16-8-7-12(13,14)10(15)9-16/h10H,4-9,15H2,1-3H3
InChIKeyWHEIKNGOSZGALJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The IUPAC name of 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (CID 167126951) is 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.
What is the SMILES notation for 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The canonical SMILES for 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is CCCC(C)(CC)N1CCC(F)(F)C(N)C1.
What is the InChIKey of 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The InChIKey is WHEIKNGOSZGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-4-6-11(3,5-2)16-8-7-12(13,14)10(15)9-16/h10H,4-9,15H2,1-3H3.
What are the key properties of 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine has a molecular weight of 234.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is sourced from PubChem (CID 167126951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).