(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine

C8H17FN2 — CID 164821452

IUPAC(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CNCC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyXFHYTXRORMQDIW-SFYZADRCSA-N
MW160.24 g/mol
LogP0.68
Rot. Bonds2

About (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine

(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine (PubChem CID 164821452) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
PubChem CID164821452
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CNCC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyXFHYTXRORMQDIW-SFYZADRCSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine (CID 164821452) is (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine is CC(C)N[C@H]1CNCC[C@H]1F.
What is the InChIKey of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
The InChIKey is XFHYTXRORMQDIW-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(2)11-8-5-10-4-3-7(8)9/h6-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine?
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 164821452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).