1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine

C15H23FN2 — CID 79408179

IUPAC1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)c(C)c2)C(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-9-13(5-6-14(10)16)18-8-7-15(17-4)11(2)12(18)3/h5-6,9,11-12,15,17H,7-8H2,1-4H3
InChIKeyRQJHTXFZCIUOAY-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine

1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79408179) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79408179
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)c(C)c2)C(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-9-13(5-6-14(10)16)18-8-7-15(17-4)11(2)12(18)3/h5-6,9,11-12,15,17H,7-8H2,1-4H3
InChIKeyRQJHTXFZCIUOAY-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine (CID 79408179) is 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(F)c(C)c2)C(C)C1C.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is RQJHTXFZCIUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-9-13(5-6-14(10)16)18-8-7-15(17-4)11(2)12(18)3/h5-6,9,11-12,15,17H,7-8H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79408179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).