2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 63784618

IUPAC2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1(C)CCN(c2ccc(F)cc2CCN)CC1
InChIInChI=1S/C15H23FN2/c1-15(2)6-9-18(10-7-15)14-4-3-13(16)11-12(14)5-8-17/h3-4,11H,5-10,17H2,1-2H3
InChIKeyBJQQKKHYIUSWGJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 63784618) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID63784618
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1(C)CCN(c2ccc(F)cc2CCN)CC1
InChIInChI=1S/C15H23FN2/c1-15(2)6-9-18(10-7-15)14-4-3-13(16)11-12(14)5-8-17/h3-4,11H,5-10,17H2,1-2H3
InChIKeyBJQQKKHYIUSWGJ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 63784618) is 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CC1(C)CCN(c2ccc(F)cc2CCN)CC1.
What is the InChIKey of 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is BJQQKKHYIUSWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)6-9-18(10-7-15)14-4-3-13(16)11-12(14)5-8-17/h3-4,11H,5-10,17H2,1-2H3.
What are the key properties of 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63784618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).