2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine

C16H15F4N3 — CID 133371653

IUPAC2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(NC2CCN(c3ccccc3)CC2)c1F
InChIInChI=1S/C16H15F4N3/c17-12-14(13(18)16(20)22-15(12)19)21-10-6-8-23(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,21,22)
InChIKeySRJLXZDHVJFFRI-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.72
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine (PubChem CID 133371653) has the molecular formula C16H15F4N3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
PubChem CID133371653
Molecular FormulaC16H15F4N3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(NC2CCN(c3ccccc3)CC2)c1F
InChIInChI=1S/C16H15F4N3/c17-12-14(13(18)16(20)22-15(12)19)21-10-6-8-23(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,21,22)
InChIKeySRJLXZDHVJFFRI-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 113226644
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-(2,4-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820276
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine (CID 133371653) is 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine is Fc1nc(F)c(F)c(NC2CCN(c3ccccc3)CC2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine?
The InChIKey is SRJLXZDHVJFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3/c17-12-14(13(18)16(20)22-15(12)19)21-10-6-8-23(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine has a molecular weight of 325.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine is sourced from PubChem (CID 133371653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).