1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one

C11H17F2NO — CID 125143336

IUPAC1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(F)(F)[C@H](C)C1
InChIInChI=1S/C11H17F2NO/c1-3-4-5-10(15)14-7-6-11(12,13)9(2)8-14/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyQFTDYDLLPMWFFX-SECBINFHSA-N
MW217.26 g/mol
LogP2.46
Rot. Bonds3

About 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one

1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one (PubChem CID 125143336) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
PubChem CID125143336
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(F)(F)[C@H](C)C1
InChIInChI=1S/C11H17F2NO/c1-3-4-5-10(15)14-7-6-11(12,13)9(2)8-14/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyQFTDYDLLPMWFFX-SECBINFHSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
CID 63123464
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-[2-[(4,4-difluoropiperidin-1-yl)methyl]-1-oxa-7-azaspiro[3.5]nonan-7-yl]pent-4-en-1-one
CID 155853240
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pent-4-en-1-one;dihydrochloride
CID 119637948
3-(4,4-difluoro-3-methylpiperidin-1-yl)propanoic acid
CID 130669966
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
3-[(3R)-1-pent-4-enoylpiperidin-3-yl]propanoic acid
CID 94547371

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one (CID 125143336) is 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(F)(F)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one?
The InChIKey is QFTDYDLLPMWFFX-SECBINFHSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-3-4-5-10(15)14-7-6-11(12,13)9(2)8-14/h3,9H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one?
1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one has a molecular weight of 217.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 125143336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).