2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine

C25H47FN2O — CID 130368590

IUPAC2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCC(C(C)(C)CCC(C)(C)N2CCC(F)CC2)CN1C1COC1
InChIInChI=1S/C25H47FN2O/c1-23(2,3)22-9-8-19(16-28(22)21-17-29-18-21)24(4,5)12-13-25(6,7)27-14-10-20(26)11-15-27/h19-22H,8-18H2,1-7H3
InChIKeyFLNCICQXFKMTNB-UHFFFAOYSA-N
MW410.66 g/mol
LogP5.53
Rot. Bonds6

About 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine

2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine (PubChem CID 130368590) has the molecular formula C25H47FN2O and a molecular weight of 410.66 g/mol. Its IUPAC name is 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
PubChem CID130368590
Molecular FormulaC25H47FN2O
Molecular Weight410.66 g/mol
Exact Mass410.37
IUPAC Name2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCC(C(C)(C)CCC(C)(C)N2CCC(F)CC2)CN1C1COC1
InChIInChI=1S/C25H47FN2O/c1-23(2,3)22-9-8-19(16-28(22)21-17-29-18-21)24(4,5)12-13-25(6,7)27-14-10-20(26)11-15-27/h19-22H,8-18H2,1-7H3
InChIKeyFLNCICQXFKMTNB-UHFFFAOYSA-N
XLogP5.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.66
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine with MolForge

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Related Compounds

1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
4-[2,5-Dimethyl-5-[4-methyl-1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-fluoro-1-(oxetan-3-yl)piperidine
CID 169665915
1-[4-[3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-(2-methoxyethyl)piperazine;ethane
CID 177178474
1-[4-[3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-(2-methoxyethyl)piperazine
CID 177178475
1-[2-[(2,6-Diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
CID 21359040
2,5-Ditert-butyl-1-(oxetan-3-yl)piperidine
CID 122428079
4-[4-[1-(3,3-Dimethylbutyl)piperidin-3-yl]-3,3-dimethylbutyl]morpholine
CID 124198932
4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine
CID 129015792
4-[3-[1-(2,3-Dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 129146194
4-[2,4,7,8-Tetramethyl-7-(morpholin-4-ylmethyl)nonan-4-yl]morpholine
CID 132122885
1-Cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
CID 134184117

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine?
The IUPAC name of 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine (CID 130368590) is 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine is CC(C)(C)C1CCC(C(C)(C)CCC(C)(C)N2CCC(F)CC2)CN1C1COC1.
What is the InChIKey of 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine?
The InChIKey is FLNCICQXFKMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47FN2O/c1-23(2,3)22-9-8-19(16-28(22)21-17-29-18-21)24(4,5)12-13-25(6,7)27-14-10-20(26)11-15-27/h19-22H,8-18H2,1-7H3.
What are the key properties of 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine?
2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine has a molecular weight of 410.66 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 130368590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).