N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

C13H16ClF3N2 — CID 43714555

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF3N2/c1-19-6-4-10(5-7-19)18-12-3-2-9(8-11(12)14)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3
InChIKeyNOHVNRKRGTWCCX-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.86
Rot. Bonds2

About N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 43714555) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID43714555
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF3N2/c1-19-6-4-10(5-7-19)18-12-3-2-9(8-11(12)14)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3
InChIKeyNOHVNRKRGTWCCX-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 55139659
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083806
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
CID 63861238
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (CID 43714555) is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is NOHVNRKRGTWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-19-6-4-10(5-7-19)18-12-3-2-9(8-11(12)14)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3.
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 292.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43714555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).