4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

C13H23FN2O2 — CID 115055622

IUPAC4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(CF)(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23FN2O2/c1-15-6-2-11(3-7-15)16-8-4-13(10-14,5-9-16)12(17)18/h11H,2-10H2,1H3,(H,17,18)
InChIKeyMRZFJTDFHHEJPZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.22
Rot. Bonds3

About 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 115055622) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
PubChem CID115055622
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(CF)(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23FN2O2/c1-15-6-2-11(3-7-15)16-8-4-13(10-14,5-9-16)12(17)18/h11H,2-10H2,1H3,(H,17,18)
InChIKeyMRZFJTDFHHEJPZ-UHFFFAOYSA-N
XLogP1.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Methyl(1,4'-bipiperidine)-4-carboxylic acid
CID 2761156
1-(1-Methylpiperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride
CID 45075036
1-[5-(3,3-Difluoropiperidin-1-yl)hexan-2-yl]piperidine-4-carboxylic acid
CID 130279107
1-(3-Fluoropiperidin-4-yl)piperidine-4-carboxylic acid
CID 176181036
3-Fluoro-1-propan-2-ylpiperidine-4-carboxylic acid
CID 177299482
4-(2-Fluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 56973594
1-(2,2-Difluoroethyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126620
4-Ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 63126623
4-Methyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566124
4-Ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566327
1-(2-Fluoroethyl)-4-methylpiperidine-4-carboxylic acid
CID 80694130
4-Ethyl-1-(2-fluoroethyl)piperidine-4-carboxylic acid
CID 80694299

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (CID 115055622) is 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is CN1CCC(N2CCC(CF)(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is MRZFJTDFHHEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-15-6-2-11(3-7-15)16-8-4-13(10-14,5-9-16)12(17)18/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115055622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).