3-fluoro-1-propan-2-ylpiperidin-4-amine

C8H17FN2 — CID 59363443

IUPAC3-fluoro-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)C(F)C1
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-3-8(10)7(9)5-11/h6-8H,3-5,10H2,1-2H3
InChIKeyWHUGASPCEPXQQM-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds1

About 3-fluoro-1-propan-2-ylpiperidin-4-amine

3-fluoro-1-propan-2-ylpiperidin-4-amine (PubChem CID 59363443) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpiperidin-4-amine
PubChem CID59363443
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name3-fluoro-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)C(F)C1
InChIInChI=1S/C8H17FN2/c1-6(2)11-4-3-8(10)7(9)5-11/h6-8H,3-5,10H2,1-2H3
InChIKeyWHUGASPCEPXQQM-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 3-fluoro-1-propan-2-ylpiperidin-4-amine (CID 59363443) is 3-fluoro-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 3-fluoro-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)C(F)C1.
What is the InChIKey of 3-fluoro-1-propan-2-ylpiperidin-4-amine?
The InChIKey is WHUGASPCEPXQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(2)11-4-3-8(10)7(9)5-11/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-ylpiperidin-4-amine?
3-fluoro-1-propan-2-ylpiperidin-4-amine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 59363443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).