4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid

C10H16F3NO2 — CID 64566124

IUPAC4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16)2-5-14(6-3-9)7-4-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyZJDTUZLCMLCALU-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid

4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (PubChem CID 64566124) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
PubChem CID64566124
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16)2-5-14(6-3-9)7-4-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyZJDTUZLCMLCALU-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (CID 64566124) is 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The InChIKey is ZJDTUZLCMLCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(8(15)16)2-5-14(6-3-9)7-4-10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 64566124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).