2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

C14H22F3NO2 — CID 64758368

IUPAC2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-4-6-13(7-5-11,10-12(19)20)18-8-2-1-3-9-18/h11H,1-10H2,(H,19,20)
InChIKeyFMRIZHLWLUNETR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 64758368) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID64758368
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-4-6-13(7-5-11,10-12(19)20)18-8-2-1-3-9-18/h11H,1-10H2,(H,19,20)
InChIKeyFMRIZHLWLUNETR-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2-Fluoroethyl)piperidin-4-yl]pentanoic acid
CID 91537841
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63066946
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63067117
4-Ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
2-[Methyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63067436
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068144
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068321
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068481
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexane-1-carboxylic acid
CID 63075114
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cycloheptane-1-carboxylic acid
CID 63075115
1-Piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756739

Frequently Asked Questions

What is the IUPAC name of 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 64758368) is 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is O=C(O)CC1(N2CCCCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is FMRIZHLWLUNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)11-4-6-13(7-5-11,10-12(19)20)18-8-2-1-3-9-18/h11H,1-10H2,(H,19,20).
What are the key properties of 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 64758368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).