4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C14H22F3NO4 — CID 66987609

IUPAC4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.C2HF3O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h10,13H,1-9H2,(H,14,15);(H,6,7)
InChIKeyRNSXOFPVLMFACJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.65
Rot. Bonds2

About 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 66987609) has the molecular formula C14H22F3NO4 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID66987609
Molecular FormulaC14H22F3NO4
Molecular Weight325.33 g/mol
Exact Mass325.15
IUPAC Name4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.C2HF3O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h10,13H,1-9H2,(H,14,15);(H,6,7)
InChIKeyRNSXOFPVLMFACJ-UHFFFAOYSA-N
XLogP2.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
CID 45260810
2-{3-Azaspiro[5.5]undecan-9-yl}acetic acid hydrochloride
CID 135392311
2-[(1R,3R)-3-methyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic acid
CID 9835106
2-[1-[(4,4,4-Trifluorobutylamino)methyl]cyclohexyl]acetic acid;hydrochloride
CID 9858153
2-[1-[(4,4,4-trifluorobutylamino)methyl]cyclohexyl]acetic Acid
CID 9858154
2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic Acid
CID 9899765
2-[(3R,5S)-3,5-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]acetic acid
CID 9900378
2-[(1R,3R)-3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexyl]acetic acid
CID 9900379
2-[(3R,5S)-3,5-dimethyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexyl]acetic acid
CID 9900778
2-[1-[(3,3,3-trifluoropropylamino)methyl]cyclohexyl]acetic Acid
CID 9921517
2-[(1R,3R)-3-methyl-1-[(4,4,4-trifluorobutylamino)methyl]cyclohexyl]acetic acid
CID 9944007
2-[(3R,5S)-3,5-dimethyl-1-[(4,4,4-trifluorobutylamino)methyl]cyclohexyl]acetic acid
CID 9944485

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 66987609) is 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is RNSXOFPVLMFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.C2HF3O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h10,13H,1-9H2,(H,14,15);(H,6,7).
What are the key properties of 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 325.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66987609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).