4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine

C11H23FN2O — CID 103392418

IUPAC4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCCN1
InChIInChI=1S/C11H23FN2O/c1-15-9-11(12,6-4-7-13)10-5-2-3-8-14-10/h10,14H,2-9,13H2,1H3
InChIKeyMPYLUDPPFGLAJU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.22
Rot. Bonds6

About 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine

4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine (PubChem CID 103392418) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine
PubChem CID103392418
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCCN1
InChIInChI=1S/C11H23FN2O/c1-15-9-11(12,6-4-7-13)10-5-2-3-8-14-10/h10,14H,2-9,13H2,1H3
InChIKeyMPYLUDPPFGLAJU-UHFFFAOYSA-N
XLogP1.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine (CID 103392418) is 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine is COCC(F)(CCCN)C1CCCCN1.
What is the InChIKey of 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine?
The InChIKey is MPYLUDPPFGLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-15-9-11(12,6-4-7-13)10-5-2-3-8-14-10/h10,14H,2-9,13H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine?
4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine has a molecular weight of 218.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-piperidin-2-ylpentan-1-amine is sourced from PubChem (CID 103392418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).