(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone

C17H19F2NO — CID 144770880

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
SMILESC=C/C(=C\C)c1ccc(C(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H19F2NO/c1-3-13(4-2)14-5-7-15(8-6-14)16(21)20-11-9-17(18,19)10-12-20/h3-8H,1,9-12H2,2H3/b13-4+
InChIKeyRVIJCAFWIDGZHF-YIXHJXPBSA-N
MW291.34 g/mol
LogP4.15
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone (PubChem CID 144770880) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
PubChem CID144770880
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
SMILESC=C/C(=C\C)c1ccc(C(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H19F2NO/c1-3-13(4-2)14-5-7-15(8-6-14)16(21)20-11-9-17(18,19)10-12-20/h3-8H,1,9-12H2,2H3/b13-4+
InChIKeyRVIJCAFWIDGZHF-YIXHJXPBSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-2-(hydroxyamino)-3-imino-N,2-dimethylpropanamide
CID 144970226
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
CID 122559227
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
2-bromo-4-(4,4-difluoropiperidine-1-carbonyl)benzonitrile
CID 170172579
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535
(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654394
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
(4,4-difluoropiperidin-1-yl)-[4-[(E)-ethylidene-(3-phenyl-1H-indol-1-ium-1-yl)-λ4-sulfanyl]phenyl]methanone
CID 143075704
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone (CID 144770880) is (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone is C=C/C(=C\C)c1ccc(C(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone?
The InChIKey is RVIJCAFWIDGZHF-YIXHJXPBSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-13(4-2)14-5-7-15(8-6-14)16(21)20-11-9-17(18,19)10-12-20/h3-8H,1,9-12H2,2H3/b13-4+.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone has a molecular weight of 291.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone is sourced from PubChem (CID 144770880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).