1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid

C12H15ClF3N3O2 — CID 175804200

IUPAC1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCCN(c2ccc(Cl)nc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14ClN3.C2HF3O2/c11-10-4-3-9(6-13-10)14-5-1-2-8(12)7-14;3-2(4,5)1(6)7/h3-4,6,8H,1-2,5,7,12H2;(H,6,7)
InChIKeyXUGXWLZSCWBAMA-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.30
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid

1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 175804200) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID175804200
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCCN(c2ccc(Cl)nc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14ClN3.C2HF3O2/c11-10-4-3-9(6-13-10)14-5-1-2-8(12)7-14;3-2(4,5)1(6)7/h3-4,6,8H,1-2,5,7,12H2;(H,6,7)
InChIKeyXUGXWLZSCWBAMA-UHFFFAOYSA-N
XLogP2.30
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid (CID 175804200) is 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid is NC1CCCN(c2ccc(Cl)nc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is XUGXWLZSCWBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3.C2HF3O2/c11-10-4-3-9(6-13-10)14-5-1-2-8(12)7-14;3-2(4,5)1(6)7/h3-4,6,8H,1-2,5,7,12H2;(H,6,7).
What are the key properties of 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 325.72 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)piperidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175804200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).