N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine

C21H34FN3 — CID 45190213

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCN(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H34FN3/c1-23-13-10-21(11-14-23)24(2)16-19-4-3-12-25(17-19)15-9-18-5-7-20(22)8-6-18/h5-8,19,21H,3-4,9-17H2,1-2H3
InChIKeyGXOKOLKJYROUPX-UHFFFAOYSA-N
MW347.52 g/mol
LogP3.11
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 45190213) has the molecular formula C21H34FN3 and a molecular weight of 347.52 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID45190213
Molecular FormulaC21H34FN3
Molecular Weight347.52 g/mol
Exact Mass347.27
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCN(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H34FN3/c1-23-13-10-21(11-14-23)24(2)16-19-4-3-12-25(17-19)15-9-18-5-7-20(22)8-6-18/h5-8,19,21H,3-4,9-17H2,1-2H3
InChIKeyGXOKOLKJYROUPX-UHFFFAOYSA-N
XLogP3.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-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-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 45190213) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2CCCN(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is GXOKOLKJYROUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN3/c1-23-13-10-21(11-14-23)24(2)16-19-4-3-12-25(17-19)15-9-18-5-7-20(22)8-6-18/h5-8,19,21H,3-4,9-17H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 347.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 45190213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).