4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid

C14H16Cl2F3NO2 — CID 172845854

IUPAC4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CC2CCNCC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15Cl2N.C2HF3O2/c13-11-2-1-10(12(14)8-11)7-9-3-5-15-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,15H,3-7H2;(H,6,7)
InChIKeyXKGPLEOBCZXDKF-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.17
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid

4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 172845854) has the molecular formula C14H16Cl2F3NO2 and a molecular weight of 358.19 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID172845854
Molecular FormulaC14H16Cl2F3NO2
Molecular Weight358.19 g/mol
Exact Mass357.05
IUPAC Name4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CC2CCNCC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15Cl2N.C2HF3O2/c13-11-2-1-10(12(14)8-11)7-9-3-5-15-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,15H,3-7H2;(H,6,7)
InChIKeyXKGPLEOBCZXDKF-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 11974546
2-(2-chlorophenyl)-N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 44535997
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-(2,6-dichlorophenyl)ethanamine;2,2,2-trifluoroacetic acid
CID 44536001
4-(3-Chlorophenyl)piperidine;2,2,2-trifluoroacetic acid
CID 145948335
3-(4-Chlorophenyl)azetidine; trifluoroacetic acid
CID 121552802
4-(2-Chlorophenyl)-1,2,3,6-tetrahydropyridine;2,2,2-trifluoroacetic acid
CID 145948336
4-(2,4-Dichlorophenyl)piperidine;2,2,2-trifluoroacetic acid
CID 17984833
4-(2-Chloro-4-fluorophenyl)piperidine trifluoroacetate
CID 17984852
4-[(4-Chlorophenyl)methyl]piperidin-1-ium;2,2,2-trifluoroacetate
CID 22379110
4-(2,4-Dichlorophenyl)-4-fluoropiperidine
CID 68007716
[4-[(4-Chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68537077
N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 69288908

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid (CID 172845854) is 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid is Clc1ccc(CC2CCNCC2)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is XKGPLEOBCZXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N.C2HF3O2/c13-11-2-1-10(12(14)8-11)7-9-3-5-15-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,15H,3-7H2;(H,6,7).
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid?
4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 358.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).