4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine

C21H31NO2 — CID 127028726

IUPAC4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3COC4(CCCCC4)O3)CC2)cc1
InChIInChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
InChIKeyOYNYCRXJGVFMSF-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.02
Rot. Bonds4

About 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine

4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine (PubChem CID 127028726) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
PubChem CID127028726
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3COC4(CCCCC4)O3)CC2)cc1
InChIInChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
InChIKeyOYNYCRXJGVFMSF-UHFFFAOYSA-N
XLogP4.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine (CID 127028726) is 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine is c1ccc(CC2CCN(CC3COC4(CCCCC4)O3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine?
The InChIKey is OYNYCRXJGVFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2.
What are the key properties of 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine?
4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine has a molecular weight of 329.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine is sourced from PubChem (CID 127028726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).