1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine

C10H19FN2O — CID 118454807

IUPAC1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
SMILESNC1CCN([C@@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-7-14-6-3-10(9)13-4-1-8(12)2-5-13/h8-10H,1-7,12H2/t9-,10-/m1/s1
InChIKeyMVJKVWMLFOXRTP-NXEZZACHSA-N
MW202.27 g/mol
LogP0.54
Rot. Bonds1

About 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine

1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine (PubChem CID 118454807) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
PubChem CID118454807
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
SMILESNC1CCN([C@@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-7-14-6-3-10(9)13-4-1-8(12)2-5-13/h8-10H,1-7,12H2/t9-,10-/m1/s1
InChIKeyMVJKVWMLFOXRTP-NXEZZACHSA-N
XLogP0.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The IUPAC name of 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine (CID 118454807) is 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine is NC1CCN([C@@H]2CCOC[C@H]2F)CC1.
What is the InChIKey of 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
The InChIKey is MVJKVWMLFOXRTP-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-9-7-14-6-3-10(9)13-4-1-8(12)2-5-13/h8-10H,1-7,12H2/t9-,10-/m1/s1.
What are the key properties of 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine?
1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine has a molecular weight of 202.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine is sourced from PubChem (CID 118454807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).