[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H18F4N2O — CID 119546114

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O/c1-20-9-10-4-6-21(7-5-10)14(22)11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,10,20H,4-7,9H2,1H3
InChIKeyFUKJXEKTUYFIHU-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.92
Rot. Bonds3

About [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119546114) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119546114
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O/c1-20-9-10-4-6-21(7-5-10)14(22)11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,10,20H,4-7,9H2,1H3
InChIKeyFUKJXEKTUYFIHU-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 119544105
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119546114) is [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is FUKJXEKTUYFIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c1-20-9-10-4-6-21(7-5-10)14(22)11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,10,20H,4-7,9H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 318.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119546114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).