4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine

C12H23F2N — CID 155044430

IUPAC4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine
SMILESCCC(C)C1CCN(C(C)C)C(F)(F)C1
InChIInChI=1S/C12H23F2N/c1-5-10(4)11-6-7-15(9(2)3)12(13,14)8-11/h9-11H,5-8H2,1-4H3
InChIKeyQZCQUIWHHCJMOV-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.75
Rot. Bonds3

About 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine

4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine (PubChem CID 155044430) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine
PubChem CID155044430
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine
SMILESCCC(C)C1CCN(C(C)C)C(F)(F)C1
InChIInChI=1S/C12H23F2N/c1-5-10(4)11-6-7-15(9(2)3)12(13,14)8-11/h9-11H,5-8H2,1-4H3
InChIKeyQZCQUIWHHCJMOV-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

butan-2-ylcyclopentane;ethane
CID 143236269
4-butan-2-yl-1-hydroxypiperidine
CID 59870205
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CID 143005290
3-butan-2-ylpyrrolidine-1-carbaldehyde
CID 143846551
butan-2-ylcyclohexane;ethane;propane
CID 143477078
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
butan-2-ylcyclohexadecane
CID 123713671
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
3-butan-2-yl-8-azabicyclo[3.2.1]octane
CID 89423739
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
CID 71268081

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine?
The IUPAC name of 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine (CID 155044430) is 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine?
The canonical SMILES for 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine is CCC(C)C1CCN(C(C)C)C(F)(F)C1.
What is the InChIKey of 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine?
The InChIKey is QZCQUIWHHCJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-5-10(4)11-6-7-15(9(2)3)12(13,14)8-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine?
4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine has a molecular weight of 219.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 155044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).