4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C21H39FN2 — CID 170952508

IUPAC4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)C1CC(N2CCC(F)(CC3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C21H39FN2/c1-16(2)19-13-20(14-19)24-11-7-21(22,8-12-24)15-18-5-9-23(10-6-18)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyLXFJPOSRRGGVSX-UHFFFAOYSA-N
MW338.56 g/mol
LogP4.74
Rot. Bonds5

About 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 170952508) has the molecular formula C21H39FN2 and a molecular weight of 338.56 g/mol. Its IUPAC name is 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
PubChem CID170952508
Molecular FormulaC21H39FN2
Molecular Weight338.56 g/mol
Exact Mass338.31
IUPAC Name4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)C1CC(N2CCC(F)(CC3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C21H39FN2/c1-16(2)19-13-20(14-19)24-11-7-21(22,8-12-24)15-18-5-9-23(10-6-18)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyLXFJPOSRRGGVSX-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(fluoromethyl)-4-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-1-methylpiperidine
CID 91486563
4,4-Difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
CID 129226745
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
2-[(1-Ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine
CID 129288871
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
4-Propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine
CID 134488538
1-Tert-butyl-4-[3-[2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]cyclobutyl]piperazine
CID 138669146
(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 146630100
4,4-Difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine
CID 146632258
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine
CID 154672559
1-(2,2-Difluoroethyl)-2-methyl-3-propan-2-yl-5-[2,2,2-trifluoro-1-(2-methyl-3-propan-2-ylpiperidin-1-yl)ethyl]piperidine
CID 154953327
1-Propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 155121592

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 170952508) is 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CC(C)C1CC(N2CCC(F)(CC3CCN(C(C)C)CC3)CC2)C1.
What is the InChIKey of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is LXFJPOSRRGGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN2/c1-16(2)19-13-20(14-19)24-11-7-21(22,8-12-24)15-18-5-9-23(10-6-18)17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 338.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 170952508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).