1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C14H23F3N2O2 — CID 63709629

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN1CCCCC1CCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-18-7-3-2-4-11(18)5-8-19-9-6-13(10-19,12(20)21)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyCOSDKLNWNGHDLG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709629) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709629
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN1CCCCC1CCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-18-7-3-2-4-11(18)5-8-19-9-6-13(10-19,12(20)21)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyCOSDKLNWNGHDLG-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227256
4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
CID 63126773
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
1-(3-methylbut-3-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114473180
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
1-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65213674
1-[2-(3-methylbutoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708394
3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
CID 130871108
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55226113
1-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105404636
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709629) is 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CN1CCCCC1CCN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is COSDKLNWNGHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-18-7-3-2-4-11(18)5-8-19-9-6-13(10-19,12(20)21)14(15,16)17/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).