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

C25H46N2O — CID 134184117

IUPAC1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(C)(CCC(C)(C)C1CCN(C2COC2)CC1)C1CCN(C2CCC2)CC1
InChIInChI=1S/C25H46N2O/c1-24(2,20-8-14-26(15-9-20)22-6-5-7-22)12-13-25(3,4)21-10-16-27(17-11-21)23-18-28-19-23/h20-23H,5-19H2,1-4H3
InChIKeyBIOPZRSGKGRUNS-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.19
Rot. Bonds7

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

1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine (PubChem CID 134184117) has the molecular formula C25H46N2O and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
PubChem CID134184117
Molecular FormulaC25H46N2O
Molecular Weight390.66 g/mol
Exact Mass390.36
IUPAC Name1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(C)(CCC(C)(C)C1CCN(C2COC2)CC1)C1CCN(C2CCC2)CC1
InChIInChI=1S/C25H46N2O/c1-24(2,20-8-14-26(15-9-20)22-6-5-7-22)12-13-25(3,4)21-10-16-27(17-11-21)23-18-28-19-23/h20-23H,5-19H2,1-4H3
InChIKeyBIOPZRSGKGRUNS-UHFFFAOYSA-N
XLogP5.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine?
The IUPAC name of 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine (CID 134184117) is 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine.
What is the SMILES notation for 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine?
The canonical SMILES for 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine is CC(C)(CCC(C)(C)C1CCN(C2COC2)CC1)C1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine?
The InChIKey is BIOPZRSGKGRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O/c1-24(2,20-8-14-26(15-9-20)22-6-5-7-22)12-13-25(3,4)21-10-16-27(17-11-21)23-18-28-19-23/h20-23H,5-19H2,1-4H3.
What are the key properties of 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine?
1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine has a molecular weight of 390.66 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine is sourced from PubChem (CID 134184117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).