2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine

C14H20F2N2 — CID 63783199

IUPAC2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2c(F)cc(CCN)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14-12(15)7-11(4-5-17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3
InChIKeyHDLIEJAFMUAJDL-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.70
Rot. Bonds3

About 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine

2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 63783199) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID63783199
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2c(F)cc(CCN)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14-12(15)7-11(4-5-17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3
InChIKeyHDLIEJAFMUAJDL-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine (CID 63783199) is 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCCN(c2c(F)cc(CCN)cc2F)C1.
What is the InChIKey of 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is HDLIEJAFMUAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14-12(15)7-11(4-5-17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63783199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).