1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid

C13H20F3NO2 — CID 65054264

IUPAC1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-4-6-10(7-5-9)17-8-2-1-3-11(17)12(18)19/h9-11H,1-8H2,(H,18,19)
InChIKeyYRLDUADSYVLAML-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds2

About 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid

1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid (PubChem CID 65054264) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid
PubChem CID65054264
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-4-6-10(7-5-9)17-8-2-1-3-11(17)12(18)19/h9-11H,1-8H2,(H,18,19)
InChIKeyYRLDUADSYVLAML-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid (CID 65054264) is 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid?
The InChIKey is YRLDUADSYVLAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)9-4-6-10(7-5-9)17-8-2-1-3-11(17)12(18)19/h9-11H,1-8H2,(H,18,19).
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid?
1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 65054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).