1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine

C15H23FN2O — CID 102968817

IUPAC1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CCCN(c2ccc(F)cc2CC(C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)8-12-9-13(16)5-6-15(12)18-7-3-4-14(10-18)19-2/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyAPVJMJYSCIKTHK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.33
Rot. Bonds4

About 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 102968817) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
PubChem CID102968817
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CCCN(c2ccc(F)cc2CC(C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)8-12-9-13(16)5-6-15(12)18-7-3-4-14(10-18)19-2/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyAPVJMJYSCIKTHK-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

Analyze 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
CID 102959097
1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63815512
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine (CID 102968817) is 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine is COC1CCCN(c2ccc(F)cc2CC(C)N)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is APVJMJYSCIKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)8-12-9-13(16)5-6-15(12)18-7-3-4-14(10-18)19-2/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine?
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine 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-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 102968817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).