1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine

C16H24F2N2O — CID 102968802

IUPAC1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(N2CCCC(OC)C2)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-12(19)7-11-8-14(17)16(15(18)9-11)20-6-4-5-13(10-20)21-2/h8-9,12-13H,3-7,10,19H2,1-2H3
InChIKeyDUSXAYLMYOROCF-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.86
Rot. Bonds5

About 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine

1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 102968802) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
PubChem CID102968802
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(N2CCCC(OC)C2)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-12(19)7-11-8-14(17)16(15(18)9-11)20-6-4-5-13(10-20)21-2/h8-9,12-13H,3-7,10,19H2,1-2H3
InChIKeyDUSXAYLMYOROCF-UHFFFAOYSA-N
XLogP2.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63786736
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 63075929
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]butan-2-amine
CID 63795206
2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783199
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
CID 55146964
1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
CID 63786633

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine (CID 102968802) is 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(N2CCCC(OC)C2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is DUSXAYLMYOROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-12(19)7-11-8-14(17)16(15(18)9-11)20-6-4-5-13(10-20)21-2/h8-9,12-13H,3-7,10,19H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine?
1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 298.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 102968802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).