(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C14H26FN3O2 — CID 135291690

IUPAC(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F
InChIInChI=1S/C14H26FN3O2/c1-9(2)20-13-4-6-18(8-11(13)15)14(19)10-3-5-17-7-12(10)16/h9-13,17H,3-8,16H2,1-2H3/t10?,11-,12?,13+/m1/s1
InChIKeyLORYBHJOARKBKN-KPFVRQRISA-N
MW287.38 g/mol
LogP0.29
Rot. Bonds3

About (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 135291690) has the molecular formula C14H26FN3O2 and a molecular weight of 287.38 g/mol. Its IUPAC name is (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID135291690
Molecular FormulaC14H26FN3O2
Molecular Weight287.38 g/mol
Exact Mass287.20
IUPAC Name(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F
InChIInChI=1S/C14H26FN3O2/c1-9(2)20-13-4-6-18(8-11(13)15)14(19)10-3-5-17-7-12(10)16/h9-13,17H,3-8,16H2,1-2H3/t10?,11-,12?,13+/m1/s1
InChIKeyLORYBHJOARKBKN-KPFVRQRISA-N
XLogP0.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 135291690) is (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F.
What is the InChIKey of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is LORYBHJOARKBKN-KPFVRQRISA-N. The full InChI is InChI=1S/C14H26FN3O2/c1-9(2)20-13-4-6-18(8-11(13)15)14(19)10-3-5-17-7-12(10)16/h9-13,17H,3-8,16H2,1-2H3/t10?,11-,12?,13+/m1/s1.
What are the key properties of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 287.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 135291690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).