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

C13H18F3N3O2 — CID 22052400

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3.C2HF3O2/c12-9-10-3-7-14(8-4-10)11-1-5-13-6-2-11;3-2(4,5)1(6)7/h1-2,5-6,10H,3-4,7-9,12H2;(H,6,7)
InChIKeyYXABLOWSOSAZFB-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.89
Rot. Bonds2

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

(1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 22052400) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID22052400
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3.C2HF3O2/c12-9-10-3-7-14(8-4-10)11-1-5-13-6-2-11;3-2(4,5)1(6)7/h1-2,5-6,10H,3-4,7-9,12H2;(H,6,7)
InChIKeyYXABLOWSOSAZFB-UHFFFAOYSA-N
XLogP1.89
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (CID 22052400) is (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is NCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is YXABLOWSOSAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C2HF3O2/c12-9-10-3-7-14(8-4-10)11-1-5-13-6-2-11;3-2(4,5)1(6)7/h1-2,5-6,10H,3-4,7-9,12H2;(H,6,7).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
(1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 305.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22052400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).