(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine

C9H19FN2 — CID 67402793

IUPAC(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine
SMILESCC(C)N1CCCC(F)(CN)C1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-4-9(10,6-11)7-12/h8H,3-7,11H2,1-2H3
InChIKeyIBGGWXOGALBXIZ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds2

About (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine

(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine (PubChem CID 67402793) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine
PubChem CID67402793
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine
SMILESCC(C)N1CCCC(F)(CN)C1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-4-9(10,6-11)7-12/h8H,3-7,11H2,1-2H3
InChIKeyIBGGWXOGALBXIZ-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.16
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-3-yl)methanamine?
The IUPAC name of (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine (CID 67402793) is (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine is CC(C)N1CCCC(F)(CN)C1.
What is the InChIKey of (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
The InChIKey is IBGGWXOGALBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)12-5-3-4-9(10,6-11)7-12/h8H,3-7,11H2,1-2H3.
What are the key properties of (3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
(3-fluoro-1-propan-2-ylpiperidin-3-yl)methanamine has a molecular weight of 174.26 g/mol, XLogP of 1.16, 2 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-3-yl)methanamine is sourced from PubChem (CID 67402793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).