N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline

C15H23FN2 — CID 55090353

IUPACN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCC1CCN(CCNc2cccc(F)c2)C(C)C1
InChIInChI=1S/C15H23FN2/c1-12-6-8-18(13(2)10-12)9-7-17-15-5-3-4-14(16)11-15/h3-5,11-13,17H,6-10H2,1-2H3
InChIKeyHFVSTKDXDZBCRS-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline

N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline (PubChem CID 55090353) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
PubChem CID55090353
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCC1CCN(CCNc2cccc(F)c2)C(C)C1
InChIInChI=1S/C15H23FN2/c1-12-6-8-18(13(2)10-12)9-7-17-15-5-3-4-14(16)11-15/h3-5,11-13,17H,6-10H2,1-2H3
InChIKeyHFVSTKDXDZBCRS-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline 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-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline (CID 55090353) is N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline is CC1CCN(CCNc2cccc(F)c2)C(C)C1.
What is the InChIKey of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The InChIKey is HFVSTKDXDZBCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-6-8-18(13(2)10-12)9-7-17-15-5-3-4-14(16)11-15/h3-5,11-13,17H,6-10H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 55090353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).