N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine

C13H16F4N2 — CID 107644995

IUPACN-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
SMILESCCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1
InChIInChI=1S/C13H16F4N2/c1-2-18-8-3-5-19(6-4-8)13-11(16)9(14)7-10(15)12(13)17/h7-8,18H,2-6H2,1H3
InChIKeyQKUHEHNUFDSAQQ-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.82
Rot. Bonds3

About N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine

N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine (PubChem CID 107644995) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
PubChem CID107644995
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC NameN-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
SMILESCCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1
InChIInChI=1S/C13H16F4N2/c1-2-18-8-3-5-19(6-4-8)13-11(16)9(14)7-10(15)12(13)17/h7-8,18H,2-6H2,1H3
InChIKeyQKUHEHNUFDSAQQ-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine (CID 107644995) is N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine is CCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1.
What is the InChIKey of N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The InChIKey is QKUHEHNUFDSAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-2-18-8-3-5-19(6-4-8)13-11(16)9(14)7-10(15)12(13)17/h7-8,18H,2-6H2,1H3.
What are the key properties of N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine has a molecular weight of 276.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine is sourced from PubChem (CID 107644995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).