1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid

C14H20F3NO3 — CID 97323784

IUPAC1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-7-5-9(6-8-18)13(20)21/h9-11H,1-8H2,(H,20,21)/t10-,11-/m1/s1
InChIKeyDDJGWZVMNUXAHJ-GHMZBOCLSA-N
MW307.31 g/mol
LogP2.68
Rot. Bonds2

About 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid

1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 97323784) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
PubChem CID97323784
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-7-5-9(6-8-18)13(20)21/h9-11H,1-8H2,(H,20,21)/t10-,11-/m1/s1
InChIKeyDDJGWZVMNUXAHJ-GHMZBOCLSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
1,4-diazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119417244
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71932492
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
[3-(2-bromoethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114801501
3-amino-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 107323011
3-methyl-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115731665

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid (CID 97323784) is 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1.
What is the InChIKey of 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is DDJGWZVMNUXAHJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-7-5-9(6-8-18)13(20)21/h9-11H,1-8H2,(H,20,21)/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 97323784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).