4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid

C11H19F2NO2 — CID 84797346

IUPAC4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CN(C)CCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-8(2)6-10(9(15)16)7-14(3)5-4-11(10,12)13/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyIWSAVZDPPAJUIP-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.07
Rot. Bonds3

About 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid

4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid (PubChem CID 84797346) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
PubChem CID84797346
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CN(C)CCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-8(2)6-10(9(15)16)7-14(3)5-4-11(10,12)13/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyIWSAVZDPPAJUIP-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
CID 84810677
2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
3-(2,2-difluoroethyl)-1-methylazetidine-3-carboxylic acid
CID 115015302
2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid
CID 84668949
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
CID 134373431
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
methyl 4,4-difluoro-3-(2-methylpropyl)oxane-3-carboxylate
CID 84798063
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid (CID 84797346) is 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid is CC(C)CC1(C(=O)O)CN(C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid?
The InChIKey is IWSAVZDPPAJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-8(2)6-10(9(15)16)7-14(3)5-4-11(10,12)13/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid?
4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 84797346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).