N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

C20H27FN2S — CID 56797530

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCc2ccc(F)c(-c3cccs3)c2)CC1
InChIInChI=1S/C20H27FN2S/c1-15(2)14-23-9-7-17(8-10-23)22-13-16-5-6-19(21)18(12-16)20-4-3-11-24-20/h3-6,11-12,15,17,22H,7-10,13-14H2,1-2H3
InChIKeyRMMPQRRNEDASTR-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.76
Rot. Bonds6

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 56797530) has the molecular formula C20H27FN2S and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID56797530
Molecular FormulaC20H27FN2S
Molecular Weight346.52 g/mol
Exact Mass346.19
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCc2ccc(F)c(-c3cccs3)c2)CC1
InChIInChI=1S/C20H27FN2S/c1-15(2)14-23-9-7-17(8-10-23)22-13-16-5-6-19(21)18(12-16)20-4-3-11-24-20/h3-6,11-12,15,17,22H,7-10,13-14H2,1-2H3
InChIKeyRMMPQRRNEDASTR-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)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-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 56797530) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(NCc2ccc(F)c(-c3cccs3)c2)CC1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is RMMPQRRNEDASTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2S/c1-15(2)14-23-9-7-17(8-10-23)22-13-16-5-6-19(21)18(12-16)20-4-3-11-24-20/h3-6,11-12,15,17,22H,7-10,13-14H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 346.52 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 56797530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).