2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride

C15H17ClF3N3 — CID 175300900

IUPAC2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)c2nc(C3CCNCC3)ccc12
InChIInChI=1S/C15H16F3N3.ClH/c16-15(17,18)11-2-3-12(19)10-1-4-13(21-14(10)11)9-5-7-20-8-6-9;/h1-4,9,20H,5-8,19H2;1H
InChIKeyZXFGNEGSQMQWPT-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.72
Rot. Bonds1

About 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride

2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride (PubChem CID 175300900) has the molecular formula C15H17ClF3N3 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride
PubChem CID175300900
Molecular FormulaC15H17ClF3N3
Molecular Weight331.77 g/mol
Exact Mass331.11
IUPAC Name2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)c2nc(C3CCNCC3)ccc12
InChIInChI=1S/C15H16F3N3.ClH/c16-15(17,18)11-2-3-12(19)10-1-4-13(21-14(10)11)9-5-7-20-8-6-9;/h1-4,9,20H,5-8,19H2;1H
InChIKeyZXFGNEGSQMQWPT-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride (CID 175300900) is 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride is Cl.Nc1ccc(C(F)(F)F)c2nc(C3CCNCC3)ccc12.
What is the InChIKey of 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride?
The InChIKey is ZXFGNEGSQMQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3.ClH/c16-15(17,18)11-2-3-12(19)10-1-4-13(21-14(10)11)9-5-7-20-8-6-9;/h1-4,9,20H,5-8,19H2;1H.
What are the key properties of 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride?
2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride is sourced from PubChem (CID 175300900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).