1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid

C11H20FNO2 — CID 115030206

IUPAC1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(CF)(C(=O)O)CC1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)13-6-4-11(8-12,5-7-13)9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyBWKOECFCDPSFCH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.92
Rot. Bonds2

About 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid

1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid (PubChem CID 115030206) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
PubChem CID115030206
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(CF)(C(=O)O)CC1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)13-6-4-11(8-12,5-7-13)9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyBWKOECFCDPSFCH-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
CID 105468787
1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
CID 118309199
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-(fluoromethyl)-1-(2-hydroxyphenyl)piperidine-4-carboxylic acid
CID 115055612
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
CID 129060789
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 118062622

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid (CID 115030206) is 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid is CC(C)(C)N1CCC(CF)(C(=O)O)CC1.
What is the InChIKey of 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is BWKOECFCDPSFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-10(2,3)13-6-4-11(8-12,5-7-13)9(14)15/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid?
1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 217.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115030206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).