(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone

C19H20F2N2O — CID 123839744

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
SMILESCCc1cccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)c1
InChIInChI=1S/C19H20F2N2O/c1-2-14-4-3-5-15(12-14)17-7-6-16(13-22-17)18(24)23-10-8-19(20,21)9-11-23/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYDBQXEZZXTZOLU-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.18
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone (PubChem CID 123839744) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
PubChem CID123839744
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
SMILESCCc1cccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)c1
InChIInChI=1S/C19H20F2N2O/c1-2-14-4-3-5-15(12-14)17-7-6-16(13-22-17)18(24)23-10-8-19(20,21)9-11-23/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYDBQXEZZXTZOLU-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone
CID 123753317
[6-[2-(aminomethyl)-7-(trifluoromethyl)-1-benzothiophen-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 121428261
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
[5-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenyl]furan-2-yl]-methylcarbamic acid
CID 126602336
[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-3-yl] N-methylcarbamate
CID 175226575
N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide
CID 118768623
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(4,4-difluoropiperidin-1-yl)-[6-[3-methyl-2-(methyliminomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
CID 139452065
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
[6-(3-ethyl-4-hydroxyphenyl)-3-pyridinyl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 167870764
1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
CID 121494320

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone (CID 123839744) is (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone is CCc1cccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone?
The InChIKey is YDBQXEZZXTZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-2-14-4-3-5-15(12-14)17-7-6-16(13-22-17)18(24)23-10-8-19(20,21)9-11-23/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone has a molecular weight of 330.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 123839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).