4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid

C12H22F2N2O2 — CID 175203164

IUPAC4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C(N)CC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)9(15)6-8-4-5-16(10(17)18)7-12(8,13)14/h8-9H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyHWKUJGBORBAZRM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid

4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid (PubChem CID 175203164) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
PubChem CID175203164
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C(N)CC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)9(15)6-8-4-5-16(10(17)18)7-12(8,13)14/h8-9H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyHWKUJGBORBAZRM-UHFFFAOYSA-N
XLogP2.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
CID 170430197
4-(2-cyanoethyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 131988920
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 86695049
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
(4S)-3,3-difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 137372039
2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylimino-iminoazanium
CID 139295928
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
CID 107219373
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid (CID 175203164) is 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid is CC(C)(C)C(N)CC1CCN(C(=O)O)CC1(F)F.
What is the InChIKey of 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid?
The InChIKey is HWKUJGBORBAZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,3)9(15)6-8-4-5-16(10(17)18)7-12(8,13)14/h8-9H,4-7,15H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid?
4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175203164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).