1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine

C21H31NO2 — CID 14990529

IUPAC1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine
SMILESc1ccc(C2CCC3(CC2)OCCC(CN2CCCCC2)O3)cc1
InChIInChI=1S/C21H31NO2/c1-3-7-18(8-4-1)19-9-12-21(13-10-19)23-16-11-20(24-21)17-22-14-5-2-6-15-22/h1,3-4,7-8,19-20H,2,5-6,9-17H2
InChIKeyVTWFPMJLCQOIEK-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.33
Rot. Bonds3

About 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine

1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine (PubChem CID 14990529) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine
PubChem CID14990529
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine
SMILESc1ccc(C2CCC3(CC2)OCCC(CN2CCCCC2)O3)cc1
InChIInChI=1S/C21H31NO2/c1-3-7-18(8-4-1)19-9-12-21(13-10-19)23-16-11-20(24-21)17-22-14-5-2-6-15-22/h1,3-4,7-8,19-20H,2,5-6,9-17H2
InChIKeyVTWFPMJLCQOIEK-UHFFFAOYSA-N
XLogP4.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine?
The IUPAC name of 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine (CID 14990529) is 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine.
What is the SMILES notation for 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine?
The canonical SMILES for 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine is c1ccc(C2CCC3(CC2)OCCC(CN2CCCCC2)O3)cc1.
What is the InChIKey of 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine?
The InChIKey is VTWFPMJLCQOIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)19-9-12-21(13-10-19)23-16-11-20(24-21)17-22-14-5-2-6-15-22/h1,3-4,7-8,19-20H,2,5-6,9-17H2.
What are the key properties of 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine?
1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine has a molecular weight of 329.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine is sourced from PubChem (CID 14990529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).