1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine

C15H25FN2O2 — CID 163773109

IUPAC1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(CCCOC2=CCC(F)C=C2)CCC1N
InChIInChI=1S/C15H25FN2O2/c1-19-15-11-18(9-7-14(15)17)8-2-10-20-13-5-3-12(16)4-6-13/h3,5-6,12,14-15H,2,4,7-11,17H2,1H3
InChIKeyMICNIOGJQWDHLO-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.62
Rot. Bonds6

About 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine

1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine (PubChem CID 163773109) has the molecular formula C15H25FN2O2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine
PubChem CID163773109
Molecular FormulaC15H25FN2O2
Molecular Weight284.37 g/mol
Exact Mass284.19
IUPAC Name1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(CCCOC2=CCC(F)C=C2)CCC1N
InChIInChI=1S/C15H25FN2O2/c1-19-15-11-18(9-7-14(15)17)8-2-10-20-13-5-3-12(16)4-6-13/h3,5-6,12,14-15H,2,4,7-11,17H2,1H3
InChIKeyMICNIOGJQWDHLO-UHFFFAOYSA-N
XLogP1.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine?
The IUPAC name of 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine (CID 163773109) is 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine is COC1CN(CCCOC2=CCC(F)C=C2)CCC1N.
What is the InChIKey of 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine?
The InChIKey is MICNIOGJQWDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-19-15-11-18(9-7-14(15)17)8-2-10-20-13-5-3-12(16)4-6-13/h3,5-6,12,14-15H,2,4,7-11,17H2,1H3.
What are the key properties of 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine?
1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 163773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).