1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine

C24H45FN4 — CID 129149434

IUPAC1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine
SMILESCC(C)(CCC(C)(C)N1CC(N2CCCCC2)C1)N1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C24H45FN4/c1-23(2,28-14-8-21(9-15-28)27-16-20(25)17-27)10-11-24(3,4)29-18-22(19-29)26-12-6-5-7-13-26/h20-22H,5-19H2,1-4H3
InChIKeyXSJXRJNMSDKWOX-UHFFFAOYSA-N
MW408.65 g/mol
LogP3.61
Rot. Bonds7

About 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine

1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine (PubChem CID 129149434) has the molecular formula C24H45FN4 and a molecular weight of 408.65 g/mol. Its IUPAC name is 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine.

Molecular Properties

Compound Name1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine
PubChem CID129149434
Molecular FormulaC24H45FN4
Molecular Weight408.65 g/mol
Exact Mass408.36
IUPAC Name1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine
SMILESCC(C)(CCC(C)(C)N1CC(N2CCCCC2)C1)N1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C24H45FN4/c1-23(2,28-14-8-21(9-15-28)27-16-20(25)17-27)10-11-24(3,4)29-18-22(19-29)26-12-6-5-7-13-26/h20-22H,5-19H2,1-4H3
InChIKeyXSJXRJNMSDKWOX-UHFFFAOYSA-N
XLogP3.61
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.65
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine?
The IUPAC name of 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine (CID 129149434) is 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine.
What is the SMILES notation for 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine?
The canonical SMILES for 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine is CC(C)(CCC(C)(C)N1CC(N2CCCCC2)C1)N1CCC(N2CC(F)C2)CC1.
What is the InChIKey of 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine?
The InChIKey is XSJXRJNMSDKWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45FN4/c1-23(2,28-14-8-21(9-15-28)27-16-20(25)17-27)10-11-24(3,4)29-18-22(19-29)26-12-6-5-7-13-26/h20-22H,5-19H2,1-4H3.
What are the key properties of 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine?
1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine has a molecular weight of 408.65 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-5-(3-piperidin-1-ylazetidin-1-yl)hexan-2-yl]-4-(3-fluoroazetidin-1-yl)piperidine is sourced from PubChem (CID 129149434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).