2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine

C15H23FN2 — CID 117024822

IUPAC2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
SMILESCC1(C)CN(c2cccc(F)c2)CCC1CCN
InChIInChI=1S/C15H23FN2/c1-15(2)11-18(9-7-12(15)6-8-17)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyNWDCOHHMZXMFPG-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.03
Rot. Bonds3

About 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine

2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine (PubChem CID 117024822) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
PubChem CID117024822
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
SMILESCC1(C)CN(c2cccc(F)c2)CCC1CCN
InChIInChI=1S/C15H23FN2/c1-15(2)11-18(9-7-12(15)6-8-17)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyNWDCOHHMZXMFPG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine (CID 117024822) is 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine is CC1(C)CN(c2cccc(F)c2)CCC1CCN.
What is the InChIKey of 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine?
The InChIKey is NWDCOHHMZXMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)11-18(9-7-12(15)6-8-17)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3.
What are the key properties of 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine?
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 117024822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).