N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine

C16H22F4N2O — CID 57428690

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H22F4N2O/c1-23-9-8-22(14-4-6-21-7-5-14)11-12-2-3-13(17)10-15(12)16(18,19)20/h2-3,10,14,21H,4-9,11H2,1H3
InChIKeyYREWEHFRTYJZKO-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.04
Rot. Bonds6

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine (PubChem CID 57428690) has the molecular formula C16H22F4N2O and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine
PubChem CID57428690
Molecular FormulaC16H22F4N2O
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H22F4N2O/c1-23-9-8-22(14-4-6-21-7-5-14)11-12-2-3-13(17)10-15(12)16(18,19)20/h2-3,10,14,21H,4-9,11H2,1H3
InChIKeyYREWEHFRTYJZKO-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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine (CID 57428690) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine is COCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is YREWEHFRTYJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4N2O/c1-23-9-8-22(14-4-6-21-7-5-14)11-12-2-3-13(17)10-15(12)16(18,19)20/h2-3,10,14,21H,4-9,11H2,1H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine 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-2-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 57428690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).