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

C15H23FN2 — CID 79407513

IUPAC1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cccc(F)c2C)C(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-12(3)18(9-8-14(10)17-4)15-7-5-6-13(16)11(15)2/h5-7,10,12,14,17H,8-9H2,1-4H3
InChIKeyAINVQNLGTMBJEM-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds2

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

1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79407513) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79407513
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cccc(F)c2C)C(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-12(3)18(9-8-14(10)17-4)15-7-5-6-13(16)11(15)2/h5-7,10,12,14,17H,8-9H2,1-4H3
InChIKeyAINVQNLGTMBJEM-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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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 103586219
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79408179
N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
CID 79408012
1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907
1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396868
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573
3-(2,6-difluorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908109

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine (CID 79407513) is 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2cccc(F)c2C)C(C)C1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is AINVQNLGTMBJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-12(3)18(9-8-14(10)17-4)15-7-5-6-13(16)11(15)2/h5-7,10,12,14,17H,8-9H2,1-4H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine?
1-(3-fluoro-2-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-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79407513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).