[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone

C15H19F2NO — CID 118929982

IUPAC[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C(F)F)CC2)cc1
InChIInChI=1S/C15H19F2NO/c1-2-11-3-5-13(6-4-11)15(19)18-9-7-12(8-10-18)14(16)17/h3-6,12,14H,2,7-10H2,1H3
InChIKeyMIPQTMAUHPKUQQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds3

About [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone

[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 118929982) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
PubChem CID118929982
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C(F)F)CC2)cc1
InChIInChI=1S/C15H19F2NO/c1-2-11-3-5-13(6-4-11)15(19)18-9-7-12(8-10-18)14(16)17/h3-6,12,14H,2,7-10H2,1H3
InChIKeyMIPQTMAUHPKUQQ-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
[4-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119520918
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
(2S)-2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119730005
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone (CID 118929982) is [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC(C(F)F)CC2)cc1.
What is the InChIKey of [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is MIPQTMAUHPKUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-11-3-5-13(6-4-11)15(19)18-9-7-12(8-10-18)14(16)17/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone?
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 267.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 118929982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).