5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline

C16H25FN2O2 — CID 106585784

IUPAC5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
SMILESCOCC1CCCN(c2cc(OC(C)C)c(F)cc2N)C1
InChIInChI=1S/C16H25FN2O2/c1-11(2)21-16-8-15(14(18)7-13(16)17)19-6-4-5-12(9-19)10-20-3/h7-8,11-12H,4-6,9-10,18H2,1-3H3
InChIKeyPTLUFPLWTOFCMD-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.06
Rot. Bonds5

About 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline

5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline (PubChem CID 106585784) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
PubChem CID106585784
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
SMILESCOCC1CCCN(c2cc(OC(C)C)c(F)cc2N)C1
InChIInChI=1S/C16H25FN2O2/c1-11(2)21-16-8-15(14(18)7-13(16)17)19-6-4-5-12(9-19)10-20-3/h7-8,11-12H,4-6,9-10,18H2,1-3H3
InChIKeyPTLUFPLWTOFCMD-UHFFFAOYSA-N
XLogP3.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 115558909
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
CID 114677679
3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
CID 106585811
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
CID 55216866
1-[4-(chloromethyl)-2-fluorophenyl]-3-(methoxymethyl)piperidine
CID 106587689
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
CID 103355179
ethyl 3-amino-4-[3-(methoxymethyl)piperidin-1-yl]benzoate
CID 106588291
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline?
The IUPAC name of 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline (CID 106585784) is 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline?
The canonical SMILES for 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline is COCC1CCCN(c2cc(OC(C)C)c(F)cc2N)C1.
What is the InChIKey of 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline?
The InChIKey is PTLUFPLWTOFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)21-16-8-15(14(18)7-13(16)17)19-6-4-5-12(9-19)10-20-3/h7-8,11-12H,4-6,9-10,18H2,1-3H3.
What are the key properties of 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline?
5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline has a molecular weight of 296.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 106585784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).