1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine

C14H19ClF3N3 — CID 135218445

IUPAC1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2c(Cl)cc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7-8,10H,3-6,19H2,1-2H3
InChIKeyYYYGPTYXISIBNG-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.47
Rot. Bonds2

About 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine

1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 135218445) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID135218445
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2c(Cl)cc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7-8,10H,3-6,19H2,1-2H3
InChIKeyYYYGPTYXISIBNG-UHFFFAOYSA-N
XLogP3.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (CID 135218445) is 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2c(Cl)cc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is YYYGPTYXISIBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7-8,10H,3-6,19H2,1-2H3.
What are the key properties of 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 135218445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).