N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

C13H19F3N4 — CID 43443470

IUPACN-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCN1CCNCC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)11-3-1-4-18-12(11)19-5-2-8-20-9-6-17-7-10-20/h1,3-4,17H,2,5-10H2,(H,18,19)
InChIKeyTXOJCMZQNAKYLO-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.81
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 43443470) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID43443470
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCN1CCNCC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)11-3-1-4-18-12(11)19-5-2-8-20-9-6-17-7-10-20/h1,3-4,17H,2,5-10H2,(H,18,19)
InChIKeyTXOJCMZQNAKYLO-UHFFFAOYSA-N
XLogP1.81
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 112820602
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119394322

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (CID 43443470) is N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is TXOJCMZQNAKYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)11-3-1-4-18-12(11)19-5-2-8-20-9-6-17-7-10-20/h1,3-4,17H,2,5-10H2,(H,18,19).
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43443470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).