4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine

C18H35FN2O2 — CID 134502399

IUPAC4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCNC(CC(C)OCC2CCNCC2)C1
InChIInChI=1S/C18H35FN2O2/c1-14(2)23-13-18(19)6-9-21-17(11-18)10-15(3)22-12-16-4-7-20-8-5-16/h14-17,20-21H,4-13H2,1-3H3
InChIKeyIGNRJKUZUYHVFW-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.67
Rot. Bonds8

About 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine

4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine (PubChem CID 134502399) has the molecular formula C18H35FN2O2 and a molecular weight of 330.49 g/mol. Its IUPAC name is 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine
PubChem CID134502399
Molecular FormulaC18H35FN2O2
Molecular Weight330.49 g/mol
Exact Mass330.27
IUPAC Name4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCNC(CC(C)OCC2CCNCC2)C1
InChIInChI=1S/C18H35FN2O2/c1-14(2)23-13-18(19)6-9-21-17(11-18)10-15(3)22-12-16-4-7-20-8-5-16/h14-17,20-21H,4-13H2,1-3H3
InChIKeyIGNRJKUZUYHVFW-UHFFFAOYSA-N
XLogP2.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine 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 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine (CID 134502399) is 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine is CC(C)OCC1(F)CCNC(CC(C)OCC2CCNCC2)C1.
What is the InChIKey of 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine?
The InChIKey is IGNRJKUZUYHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O2/c1-14(2)23-13-18(19)6-9-21-17(11-18)10-15(3)22-12-16-4-7-20-8-5-16/h14-17,20-21H,4-13H2,1-3H3.
What are the key properties of 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine?
4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine has a molecular weight of 330.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 134502399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).