5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane

C23H42N2O2 — CID 171423879

IUPAC5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane
SMILESC1CC2CNCCOCOCC3CCC(C4CCCNC4)CC3CC(C1)C2
InChIInChI=1S/C23H42N2O2/c1-3-18-11-19(4-1)14-25-9-10-26-17-27-16-22-7-6-20(13-23(22)12-18)21-5-2-8-24-15-21/h18-25H,1-17H2
InChIKeyCFSLXCLVKGGXEO-UHFFFAOYSA-N
MW378.60 g/mol
LogP3.81
Rot. Bonds1

About 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane

5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane (PubChem CID 171423879) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane.

Molecular Properties

Compound Name5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane
PubChem CID171423879
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane
SMILESC1CC2CNCCOCOCC3CCC(C4CCCNC4)CC3CC(C1)C2
InChIInChI=1S/C23H42N2O2/c1-3-18-11-19(4-1)14-25-9-10-26-17-27-16-22-7-6-20(13-23(22)12-18)21-5-2-8-24-15-21/h18-25H,1-17H2
InChIKeyCFSLXCLVKGGXEO-UHFFFAOYSA-N
XLogP3.81
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-3-cyclohexylpiperidine
CID 7016473
3-pyrrolidin-3-ylcyclohexan-1-ol
CID 84731820
7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154967101
N-methyl-N-piperidin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 60807056
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
tricyclo[4.3.1.12,5]undecane
CID 13070377
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane?
The IUPAC name of 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane (CID 171423879) is 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane.
What is the SMILES notation for 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane?
The canonical SMILES for 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane is C1CC2CNCCOCOCC3CCC(C4CCCNC4)CC3CC(C1)C2.
What is the InChIKey of 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane?
The InChIKey is CFSLXCLVKGGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-3-18-11-19(4-1)14-25-9-10-26-17-27-16-22-7-6-20(13-23(22)12-18)21-5-2-8-24-15-21/h18-25H,1-17H2.
What are the key properties of 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane?
5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane has a molecular weight of 378.60 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-10,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosane is sourced from PubChem (CID 171423879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).