(4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine

C9H19FN2 — CID 115014379

IUPAC(4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCC(C)N1CCC(F)(CN)CC1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-7,11H2,1-2H3
InChIKeyAHJWHMMPOALLJO-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds2

About (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine

(4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine (PubChem CID 115014379) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine
PubChem CID115014379
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCC(C)N1CCC(F)(CN)CC1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-7,11H2,1-2H3
InChIKeyAHJWHMMPOALLJO-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

Analyze (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine?
The IUPAC name of (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine (CID 115014379) is (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine is CC(C)N1CCC(F)(CN)CC1.
What is the InChIKey of (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine?
The InChIKey is AHJWHMMPOALLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)12-5-3-9(10,7-11)4-6-12/h8H,3-7,11H2,1-2H3.
What are the key properties of (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine?
(4-fluoro-1-propan-2-ylpiperidin-4-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 (4-fluoro-1-propan-2-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 115014379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).