N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline

C16H25FN2 — CID 63129780

IUPACN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
SMILESCCN(CC1(CC)CCNCC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-16(8-10-18-11-9-16)13-19(4-2)15-7-5-6-14(17)12-15/h5-7,12,18H,3-4,8-11,13H2,1-2H3
InChIKeyGTOFZCYLJQVRTE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.43
Rot. Bonds5

About N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline

N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline (PubChem CID 63129780) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
PubChem CID63129780
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
SMILESCCN(CC1(CC)CCNCC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-16(8-10-18-11-9-16)13-19(4-2)15-7-5-6-14(17)12-15/h5-7,12,18H,3-4,8-11,13H2,1-2H3
InChIKeyGTOFZCYLJQVRTE-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-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-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline?
The IUPAC name of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline (CID 63129780) is N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline?
The canonical SMILES for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline is CCN(CC1(CC)CCNCC1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline?
The InChIKey is GTOFZCYLJQVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(8-10-18-11-9-16)13-19(4-2)15-7-5-6-14(17)12-15/h5-7,12,18H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline?
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 63129780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).