N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine

C16H22F4N2O — CID 75433071

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCN(CCNCc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F4N2O/c1-23-13-4-7-22(8-5-13)9-6-21-11-12-2-3-15(17)14(10-12)16(18,19)20/h2-3,10,13,21H,4-9,11H2,1H3
InChIKeyPJUDTCIUVSCHAG-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.04
Rot. Bonds6

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine (PubChem CID 75433071) has the molecular formula C16H22F4N2O and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine
PubChem CID75433071
Molecular FormulaC16H22F4N2O
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCN(CCNCc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F4N2O/c1-23-13-4-7-22(8-5-13)9-6-21-11-12-2-3-15(17)14(10-12)16(18,19)20/h2-3,10,13,21H,4-9,11H2,1H3
InChIKeyPJUDTCIUVSCHAG-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine
CID 170456557
2-fluoro-5-[[9-[4-[1-[9-[(4-fluoro-3-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonylamino]methyl]phenol
CID 142786472
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
CID 143375714
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-N-methylethanesulfonamide
CID 102674765
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 83009539
4-[(3-methoxypyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 103542210
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pent-4-yn-1-amine
CID 113338465

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine (CID 75433071) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine is COC1CCN(CCNCc2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The InChIKey is PJUDTCIUVSCHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4N2O/c1-23-13-4-7-22(8-5-13)9-6-21-11-12-2-3-15(17)14(10-12)16(18,19)20/h2-3,10,13,21H,4-9,11H2,1H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine has a molecular weight of 334.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 75433071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).