5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine

C11H22FN3O — CID 134577936

IUPAC5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
SMILESCN1CCC(OC2C(N)CNCC2F)CC1
InChIInChI=1S/C11H22FN3O/c1-15-4-2-8(3-5-15)16-11-9(12)6-14-7-10(11)13/h8-11,14H,2-7,13H2,1H3
InChIKeyAGDHIOOAGHPRTF-UHFFFAOYSA-N
MW231.31 g/mol
LogP-0.27
Rot. Bonds2

About 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine

5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine (PubChem CID 134577936) has the molecular formula C11H22FN3O and a molecular weight of 231.31 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
PubChem CID134577936
Molecular FormulaC11H22FN3O
Molecular Weight231.31 g/mol
Exact Mass231.17
IUPAC Name5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
SMILESCN1CCC(OC2C(N)CNCC2F)CC1
InChIInChI=1S/C11H22FN3O/c1-15-4-2-8(3-5-15)16-11-9(12)6-14-7-10(11)13/h8-11,14H,2-7,13H2,1H3
InChIKeyAGDHIOOAGHPRTF-UHFFFAOYSA-N
XLogP-0.27
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The IUPAC name of 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine (CID 134577936) is 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine is CN1CCC(OC2C(N)CNCC2F)CC1.
What is the InChIKey of 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The InChIKey is AGDHIOOAGHPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3O/c1-15-4-2-8(3-5-15)16-11-9(12)6-14-7-10(11)13/h8-11,14H,2-7,13H2,1H3.
What are the key properties of 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine has a molecular weight of 231.31 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine is sourced from PubChem (CID 134577936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).