1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine

C14H20F2N2 — CID 114059326

IUPAC1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C(C)c2cccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-6-11(17)8-18(7-9)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11H,6-8,17H2,1-2H3
InChIKeyZVIYLFNXSFLMIN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.69
Rot. Bonds2

About 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine

1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine (PubChem CID 114059326) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine
PubChem CID114059326
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C(C)c2cccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-6-11(17)8-18(7-9)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11H,6-8,17H2,1-2H3
InChIKeyZVIYLFNXSFLMIN-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine (CID 114059326) is 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(C(C)c2cccc(F)c2F)C1.
What is the InChIKey of 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine?
The InChIKey is ZVIYLFNXSFLMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9-6-11(17)8-18(7-9)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11H,6-8,17H2,1-2H3.
What are the key properties of 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine?
1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 114059326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).