N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine

C15H23FN2O — CID 106533080

IUPACN-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCCC(OC)C2)c1
InChIInChI=1S/C15H23FN2O/c1-3-17-10-12-7-13(16)9-14(8-12)18-6-4-5-15(11-18)19-2/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyFKSOLOGLAIWOAM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds5

About N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 106533080) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID106533080
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCCC(OC)C2)c1
InChIInChI=1S/C15H23FN2O/c1-3-17-10-12-7-13(16)9-14(8-12)18-6-4-5-15(11-18)19-2/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyFKSOLOGLAIWOAM-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533076
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532441
N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532936
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
3-(3-ethoxypiperidin-1-yl)-5-fluorobenzaldehyde
CID 106529175
N-[[4-(3-methoxypiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 102967869
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
CID 79882223
3-bromo-5-(3-methoxypiperidin-1-yl)benzoic acid
CID 102970726
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine (CID 106533080) is N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(F)cc(N2CCCC(OC)C2)c1.
What is the InChIKey of N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is FKSOLOGLAIWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-10-12-7-13(16)9-14(8-12)18-6-4-5-15(11-18)19-2/h7-9,15,17H,3-6,10-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106533080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).