[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine

C15H23FN2O — CID 107390827

IUPAC[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1(C)CCCN(Cc2cc(F)cc(CN)c2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)4-3-5-18(11-15)10-13-6-12(9-17)7-14(16)8-13/h6-8H,3-5,9-11,17H2,1-2H3
InChIKeyLQYAMNJDMFMAOC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.29
Rot. Bonds4

About [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine

[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 107390827) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID107390827
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1(C)CCCN(Cc2cc(F)cc(CN)c2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)4-3-5-18(11-15)10-13-6-12(9-17)7-14(16)8-13/h6-8H,3-5,9-11,17H2,1-2H3
InChIKeyLQYAMNJDMFMAOC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine (CID 107390827) is [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine is COC1(C)CCCN(Cc2cc(F)cc(CN)c2)C1.
What is the InChIKey of [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is LQYAMNJDMFMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(19-2)4-3-5-18(11-15)10-13-6-12(9-17)7-14(16)8-13/h6-8H,3-5,9-11,17H2,1-2H3.
What are the key properties of [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 266.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).