1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C14H23F3N2O2 — CID 65065657

IUPAC1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCC(C(=O)O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-10(2)18-6-3-11(4-7-18)19-8-5-13(9-19,12(20)21)14(15,16)17/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyIBUWTLZSGBDAOR-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds3

About 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 65065657) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID65065657
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCC(C(=O)O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-10(2)18-6-3-11(4-7-18)19-8-5-13(9-19,12(20)21)14(15,16)17/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyIBUWTLZSGBDAOR-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060666
1-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64729261
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
1-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065847
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
2-fluoro-1-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 170144751
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 65065657) is 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(C)N1CCC(N2CCC(C(=O)O)(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IBUWTLZSGBDAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-10(2)18-6-3-11(4-7-18)19-8-5-13(9-19,12(20)21)14(15,16)17/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65065657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).