(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine

C10H22FN3O — CID 166914803

IUPAC(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCNCCOCCN[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C10H22FN3O/c1-12-4-6-15-7-5-14-10-2-3-13-8-9(10)11/h9-10,12-14H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyFUEATPZWGXPWQL-VHSXEESVSA-N
MW219.30 g/mol
LogP-0.49
Rot. Bonds7

About (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine

(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine (PubChem CID 166914803) has the molecular formula C10H22FN3O and a molecular weight of 219.30 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine
PubChem CID166914803
Molecular FormulaC10H22FN3O
Molecular Weight219.30 g/mol
Exact Mass219.17
IUPAC Name(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCNCCOCCN[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C10H22FN3O/c1-12-4-6-15-7-5-14-10-2-3-13-8-9(10)11/h9-10,12-14H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyFUEATPZWGXPWQL-VHSXEESVSA-N
XLogP-0.49
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
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 (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine (CID 166914803) is (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine is CNCCOCCN[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine?
The InChIKey is FUEATPZWGXPWQL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22FN3O/c1-12-4-6-15-7-5-14-10-2-3-13-8-9(10)11/h9-10,12-14H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine?
(3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine has a molecular weight of 219.30 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-N-[2-[2-(methylamino)ethoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 166914803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).