1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

C21H37F3N2O — CID 130440259

IUPAC1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)C1CCN(C2COC2)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C21H37F3N2O/c1-16(18-5-9-25(10-6-18)15-21(22,23)24)3-4-17(2)19-7-11-26(12-8-19)20-13-27-14-20/h16-20H,3-15H2,1-2H3
InChIKeyYKVFQLBQCBDXSP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.42
Rot. Bonds7

About 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (PubChem CID 130440259) has the molecular formula C21H37F3N2O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
PubChem CID130440259
Molecular FormulaC21H37F3N2O
Molecular Weight390.53 g/mol
Exact Mass390.29
IUPAC Name1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)C1CCN(C2COC2)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C21H37F3N2O/c1-16(18-5-9-25(10-6-18)15-21(22,23)24)3-4-17(2)19-7-11-26(12-8-19)20-13-27-14-20/h16-20H,3-15H2,1-2H3
InChIKeyYKVFQLBQCBDXSP-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The IUPAC name of 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (CID 130440259) is 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The canonical SMILES for 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is CC(CCC(C)C1CCN(C2COC2)CC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The InChIKey is YKVFQLBQCBDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F3N2O/c1-16(18-5-9-25(10-6-18)15-21(22,23)24)3-4-17(2)19-7-11-26(12-8-19)20-13-27-14-20/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine has a molecular weight of 390.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is sourced from PubChem (CID 130440259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).