[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

C15H19F3N2O — CID 65100880

IUPAC[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCNCCC1CCCCN1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H19F3N2O/c1-19-6-5-11-4-2-3-7-20(11)15(21)14-12(17)8-10(16)9-13(14)18/h8-9,11,19H,2-7H2,1H3
InChIKeyHHOKGJNRWBAYDO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.71
Rot. Bonds4

About [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 65100880) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID65100880
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCNCCC1CCCCN1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H19F3N2O/c1-19-6-5-11-4-2-3-7-20(11)15(21)14-12(17)8-10(16)9-13(14)18/h8-9,11,19H,2-7H2,1H3
InChIKeyHHOKGJNRWBAYDO-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 117044959
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100163
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 79217054
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
CID 79523125
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393828
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 55168737

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (CID 65100880) is [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is CNCCC1CCCCN1C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is HHOKGJNRWBAYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-6-5-11-4-2-3-7-20(11)15(21)14-12(17)8-10(16)9-13(14)18/h8-9,11,19H,2-7H2,1H3.
What are the key properties of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 300.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65100880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).