1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine

C15H20ClF3N2 — CID 79396868

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2C(F)(F)F)C(C)C1C
InChIInChI=1S/C15H20ClF3N2/c1-9-10(2)21(7-6-13(9)20-3)14-5-4-11(16)8-12(14)15(17,18)19/h4-5,8-10,13,20H,6-7H2,1-3H3
InChIKeyWRVWNRMNXWFVHF-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.18
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine

1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79396868) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
PubChem CID79396868
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2C(F)(F)F)C(C)C1C
InChIInChI=1S/C15H20ClF3N2/c1-9-10(2)21(7-6-13(9)20-3)14-5-4-11(16)8-12(14)15(17,18)19/h4-5,8-10,13,20H,6-7H2,1-3H3
InChIKeyWRVWNRMNXWFVHF-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 107528747
1-(2,5-difluoro-4-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 103586219
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79408179
1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407513
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397118
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine (CID 79396868) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(Cl)cc2C(F)(F)F)C(C)C1C.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is WRVWNRMNXWFVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-9-10(2)21(7-6-13(9)20-3)14-5-4-11(16)8-12(14)15(17,18)19/h4-5,8-10,13,20H,6-7H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 320.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79396868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).