1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C15H21F3N2 — CID 83992089

IUPAC1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCc1ccc(C2CC(NCC(F)(F)F)CN(C)C2)cc1
InChIInChI=1S/C15H21F3N2/c1-11-3-5-12(6-4-11)13-7-14(9-20(2)8-13)19-10-15(16,17)18/h3-6,13-14,19H,7-10H2,1-2H3
InChIKeyUIQKOJJVVQFFAW-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.93
Rot. Bonds3

About 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992089) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992089
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCc1ccc(C2CC(NCC(F)(F)F)CN(C)C2)cc1
InChIInChI=1S/C15H21F3N2/c1-11-3-5-12(6-4-11)13-7-14(9-20(2)8-13)19-10-15(16,17)18/h3-6,13-14,19H,7-10H2,1-2H3
InChIKeyUIQKOJJVVQFFAW-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992062
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
N-cyclopentyl-1-methyl-5-(4-methylphenyl)piperidin-3-amine
CID 83999699
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
CID 83990850
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992057
N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine
CID 83991454
1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
CID 61210851
N,1-dimethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83989556
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992089) is 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is Cc1ccc(C2CC(NCC(F)(F)F)CN(C)C2)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is UIQKOJJVVQFFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11-3-5-12(6-4-11)13-7-14(9-20(2)8-13)19-10-15(16,17)18/h3-6,13-14,19H,7-10H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).