(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

C11H21F3N2O2 — CID 23018851

IUPAC(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(CN)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2.C2HF3O2/c1-8(2)11-5-3-9(7-10)4-6-11;3-2(4,5)1(6)7/h8-9H,3-7,10H2,1-2H3;(H,6,7)
InChIKeyNVIYFEGOFZJKPS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds2

About (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 23018851) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID23018851
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(CN)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2.C2HF3O2/c1-8(2)11-5-3-9(7-10)4-6-11;3-2(4,5)1(6)7/h8-9H,3-7,10H2,1-2H3;(H,6,7)
InChIKeyNVIYFEGOFZJKPS-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid 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 (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (CID 23018851) is (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is CC(C)N1CCC(CN)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is NVIYFEGOFZJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2HF3O2/c1-8(2)11-5-3-9(7-10)4-6-11;3-2(4,5)1(6)7/h8-9H,3-7,10H2,1-2H3;(H,6,7).
What are the key properties of (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
(1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23018851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).