1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C15H23FN2O — CID 107522247

IUPAC1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)8-3-9-18(11-15)10-14(17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3
InChIKeyTWNPQBZUEIMTIR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107522247) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107522247
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)8-3-9-18(11-15)10-14(17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3
InChIKeyTWNPQBZUEIMTIR-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
CID 107395114
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521139
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107390827
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
CID 107394421
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
1-(3,5-difluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395261
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107522247) is 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(CC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is TWNPQBZUEIMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(19-2)8-3-9-18(11-15)10-14(17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).