1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol

C9H19FN2O — CID 170631329

IUPAC1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C9H19FN2O/c1-9(2,13)6-12-4-3-8(11)7(10)5-12/h7-8,13H,3-6,11H2,1-2H3/t7-,8+/m0/s1
InChIKeyDVDFWUCKWPLWAY-JGVFFNPUSA-N
MW190.26 g/mol
LogP0.13
Rot. Bonds2

About 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol

1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 170631329) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol
PubChem CID170631329
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C9H19FN2O/c1-9(2,13)6-12-4-3-8(11)7(10)5-12/h7-8,13H,3-6,11H2,1-2H3/t7-,8+/m0/s1
InChIKeyDVDFWUCKWPLWAY-JGVFFNPUSA-N
XLogP0.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol (CID 170631329) is 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CC[C@@H](N)[C@@H](F)C1.
What is the InChIKey of 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is DVDFWUCKWPLWAY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-9(2,13)6-12-4-3-8(11)7(10)5-12/h7-8,13H,3-6,11H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol?
1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 190.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 170631329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).