1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol

C9H19FN2O — CID 165443786

IUPAC1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol
SMILESC[C@@H]1CCN(CC(O)CF)C[C@@H]1N
InChIInChI=1S/C9H19FN2O/c1-7-2-3-12(6-9(7)11)5-8(13)4-10/h7-9,13H,2-6,11H2,1H3/t7-,8?,9+/m1/s1
InChIKeyDAXCJBFWZBUTAU-NBXIYJJMSA-N
MW190.26 g/mol
LogP-0.01
Rot. Bonds3

About 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol

1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol (PubChem CID 165443786) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol
PubChem CID165443786
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol
SMILESC[C@@H]1CCN(CC(O)CF)C[C@@H]1N
InChIInChI=1S/C9H19FN2O/c1-7-2-3-12(6-9(7)11)5-8(13)4-10/h7-9,13H,2-6,11H2,1H3/t7-,8?,9+/m1/s1
InChIKeyDAXCJBFWZBUTAU-NBXIYJJMSA-N
XLogP-0.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol?
The IUPAC name of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol (CID 165443786) is 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol is C[C@@H]1CCN(CC(O)CF)C[C@@H]1N.
What is the InChIKey of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol?
The InChIKey is DAXCJBFWZBUTAU-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-7-2-3-12(6-9(7)11)5-8(13)4-10/h7-9,13H,2-6,11H2,1H3/t7-,8?,9+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol?
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol has a molecular weight of 190.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol is sourced from PubChem (CID 165443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).