4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid

C14H17F3N2O2 — CID 146380644

IUPAC4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
SMILESCN(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-18(12-6-8-19(9-7-12)13(20)21)11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,20,21)
InChIKeyMCOBFLLYPCHVLK-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.28
Rot. Bonds2

About 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid

4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid (PubChem CID 146380644) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
PubChem CID146380644
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
SMILESCN(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-18(12-6-8-19(9-7-12)13(20)21)11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,20,21)
InChIKeyMCOBFLLYPCHVLK-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid (CID 146380644) is 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid is CN(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid?
The InChIKey is MCOBFLLYPCHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-18(12-6-8-19(9-7-12)13(20)21)11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid?
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid is sourced from PubChem (CID 146380644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).