3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

C17H32FN3 — CID 167091038

IUPAC3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCN1CCC(CN2CCC(C3CCNCC3)CC2)C(F)C1
InChIInChI=1S/C17H32FN3/c1-20-9-4-16(17(18)13-20)12-21-10-5-15(6-11-21)14-2-7-19-8-3-14/h14-17,19H,2-13H2,1H3
InChIKeyXZOWPMVPQKPZIT-UHFFFAOYSA-N
MW297.46 g/mol
LogP1.99
Rot. Bonds3

About 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 167091038) has the molecular formula C17H32FN3 and a molecular weight of 297.46 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
PubChem CID167091038
Molecular FormulaC17H32FN3
Molecular Weight297.46 g/mol
Exact Mass297.26
IUPAC Name3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCN1CCC(CN2CCC(C3CCNCC3)CC2)C(F)C1
InChIInChI=1S/C17H32FN3/c1-20-9-4-16(17(18)13-20)12-21-10-5-15(6-11-21)14-2-7-19-8-3-14/h14-17,19H,2-13H2,1H3
InChIKeyXZOWPMVPQKPZIT-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]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 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (CID 167091038) is 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is CN1CCC(CN2CCC(C3CCNCC3)CC2)C(F)C1.
What is the InChIKey of 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is XZOWPMVPQKPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3/c1-20-9-4-16(17(18)13-20)12-21-10-5-15(6-11-21)14-2-7-19-8-3-14/h14-17,19H,2-13H2,1H3.
What are the key properties of 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 297.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167091038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).