N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine

C15H23FN2 — CID 113354253

IUPACN-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cccc(NC2CC(C)N(C)CC2C)c1F
InChIInChI=1S/C15H23FN2/c1-10-6-5-7-13(15(10)16)17-14-8-12(3)18(4)9-11(14)2/h5-7,11-12,14,17H,8-9H2,1-4H3
InChIKeyJQEUYYTZTSLZBH-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.27
Rot. Bonds2

About N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 113354253) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID113354253
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cccc(NC2CC(C)N(C)CC2C)c1F
InChIInChI=1S/C15H23FN2/c1-10-6-5-7-13(15(10)16)17-14-8-12(3)18(4)9-11(14)2/h5-7,11-12,14,17H,8-9H2,1-4H3
InChIKeyJQEUYYTZTSLZBH-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 113354253) is N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine is Cc1cccc(NC2CC(C)N(C)CC2C)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is JQEUYYTZTSLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-6-5-7-13(15(10)16)17-14-8-12(3)18(4)9-11(14)2/h5-7,11-12,14,17H,8-9H2,1-4H3.
What are the key properties of N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 113354253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).