1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine

C20H29NO2 — CID 14675376

IUPAC1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine
SMILESc1ccc(C2CCC3(CC2)OCC(CN2CCCCC2)O3)cc1
InChIInChI=1S/C20H29NO2/c1-3-7-17(8-4-1)18-9-11-20(12-10-18)22-16-19(23-20)15-21-13-5-2-6-14-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2
InChIKeyYCJVBGCIZAFQIP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.94
Rot. Bonds3

About 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine

1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine (PubChem CID 14675376) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine
PubChem CID14675376
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine
SMILESc1ccc(C2CCC3(CC2)OCC(CN2CCCCC2)O3)cc1
InChIInChI=1S/C20H29NO2/c1-3-7-17(8-4-1)18-9-11-20(12-10-18)22-16-19(23-20)15-21-13-5-2-6-14-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2
InChIKeyYCJVBGCIZAFQIP-UHFFFAOYSA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine?
The IUPAC name of 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine (CID 14675376) is 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine is c1ccc(C2CCC3(CC2)OCC(CN2CCCCC2)O3)cc1.
What is the InChIKey of 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine?
The InChIKey is YCJVBGCIZAFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-7-17(8-4-1)18-9-11-20(12-10-18)22-16-19(23-20)15-21-13-5-2-6-14-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2.
What are the key properties of 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine?
1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine has a molecular weight of 315.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]piperidine is sourced from PubChem (CID 14675376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).