5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine

C14H30FN3O — CID 178089332

IUPAC5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine
SMILESCN1CC(CCCCCOCCN)C(N)C(C)(F)C1
InChIInChI=1S/C14H30FN3O/c1-14(15)11-18(2)10-12(13(14)17)6-4-3-5-8-19-9-7-16/h12-13H,3-11,16-17H2,1-2H3
InChIKeyMXFOFQJPHVLEDY-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.14
Rot. Bonds8

About 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine

5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine (PubChem CID 178089332) has the molecular formula C14H30FN3O and a molecular weight of 275.41 g/mol. Its IUPAC name is 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine
PubChem CID178089332
Molecular FormulaC14H30FN3O
Molecular Weight275.41 g/mol
Exact Mass275.24
IUPAC Name5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine
SMILESCN1CC(CCCCCOCCN)C(N)C(C)(F)C1
InChIInChI=1S/C14H30FN3O/c1-14(15)11-18(2)10-12(13(14)17)6-4-3-5-8-19-9-7-16/h12-13H,3-11,16-17H2,1-2H3
InChIKeyMXFOFQJPHVLEDY-UHFFFAOYSA-N
XLogP1.14
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
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 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine?
The IUPAC name of 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine (CID 178089332) is 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine is CN1CC(CCCCCOCCN)C(N)C(C)(F)C1.
What is the InChIKey of 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine?
The InChIKey is MXFOFQJPHVLEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN3O/c1-14(15)11-18(2)10-12(13(14)17)6-4-3-5-8-19-9-7-16/h12-13H,3-11,16-17H2,1-2H3.
What are the key properties of 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine?
5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine has a molecular weight of 275.41 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 178089332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).