1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine

C25H49FN4O — CID 167291935

IUPAC1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(C(C)(C)CCC(C)(C)N2CCC(N3CC(F)C3)CC2)CC1
InChIInChI=1S/C25H49FN4O/c1-24(2,29-13-7-22(8-14-29)27(5)17-18-31-6)11-12-25(3,4)30-15-9-23(10-16-30)28-19-21(26)20-28/h21-23H,7-20H2,1-6H3
InChIKeySOCCWQTUGQKKAL-UHFFFAOYSA-N
MW440.69 g/mol
LogP3.48
Rot. Bonds10

About 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine

1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (PubChem CID 167291935) has the molecular formula C25H49FN4O and a molecular weight of 440.69 g/mol. Its IUPAC name is 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
PubChem CID167291935
Molecular FormulaC25H49FN4O
Molecular Weight440.69 g/mol
Exact Mass440.39
IUPAC Name1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(C(C)(C)CCC(C)(C)N2CCC(N3CC(F)C3)CC2)CC1
InChIInChI=1S/C25H49FN4O/c1-24(2,29-13-7-22(8-14-29)27(5)17-18-31-6)11-12-25(3,4)30-15-9-23(10-16-30)28-19-21(26)20-28/h21-23H,7-20H2,1-6H3
InChIKeySOCCWQTUGQKKAL-UHFFFAOYSA-N
XLogP3.48
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-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 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (CID 167291935) is 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is COCCN(C)C1CCN(C(C)(C)CCC(C)(C)N2CCC(N3CC(F)C3)CC2)CC1.
What is the InChIKey of 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The InChIKey is SOCCWQTUGQKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49FN4O/c1-24(2,29-13-7-22(8-14-29)27(5)17-18-31-6)11-12-25(3,4)30-15-9-23(10-16-30)28-19-21(26)20-28/h21-23H,7-20H2,1-6H3.
What are the key properties of 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine has a molecular weight of 440.69 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]-2,5-dimethylhexan-2-yl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 167291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).