trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C14H20F3NO3 — CID 124513759

IUPACtrans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)11-4-6-18(7-5-11)12(19)9-2-1-3-10(8-9)13(20)21/h9-11H,1-8H2,(H,20,21)/t9-,10-/m1/s1
InChIKeyMIRUXQRYAMHYBR-NXEZZACHSA-N
MW307.31 g/mol
LogP2.68
Rot. Bonds2

About trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 124513759) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID124513759
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Nametrans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)11-4-6-18(7-5-11)12(19)9-2-1-3-10(8-9)13(20)21/h9-11H,1-8H2,(H,20,21)/t9-,10-/m1/s1
InChIKeyMIRUXQRYAMHYBR-NXEZZACHSA-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

cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(1S,6R)-6-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962511
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide
CID 136587386
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 124513759) is trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is MIRUXQRYAMHYBR-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)11-4-6-18(7-5-11)12(19)9-2-1-3-10(8-9)13(20)21/h9-11H,1-8H2,(H,20,21)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-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 trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124513759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).