2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

C16H21F2NO — CID 105411935

IUPAC2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(F)cc(F)c2)CCNCC1
InChIInChI=1S/C16H21F2NO/c1-2-3-16(4-6-19-7-5-16)15(20)10-12-8-13(17)11-14(18)9-12/h8-9,11,19H,2-7,10H2,1H3
InChIKeyLXTFFOZCIILINM-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.25
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (PubChem CID 105411935) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
PubChem CID105411935
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(F)cc(F)c2)CCNCC1
InChIInChI=1S/C16H21F2NO/c1-2-3-16(4-6-19-7-5-16)15(20)10-12-8-13(17)11-14(18)9-12/h8-9,11,19H,2-7,10H2,1H3
InChIKeyLXTFFOZCIILINM-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569203
2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 105412230
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
CID 116569082
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (CID 105411935) is 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is CCCC1(C(=O)Cc2cc(F)cc(F)c2)CCNCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The InChIKey is LXTFFOZCIILINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-2-3-16(4-6-19-7-5-16)15(20)10-12-8-13(17)11-14(18)9-12/h8-9,11,19H,2-7,10H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone has a molecular weight of 281.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 105411935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).