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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxapium Iodide
CID 168884
Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
4-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
CID 3542201
Oxapium
CID 4613
1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
4-Benzyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperidine;oxalic acid
CID 156020131
AJ-190/13485012
CID 899309
4-{2-[2-(4-tert-Butyl-phenyl)-ethyl]-[1,3]dioxolan-4-ylmethyl}-4-methyl-morpholin-4-ium
CID 16682490
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 16188406
4-benzyl-1-[[(2S,4R)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperidine
CID 127027489
4-benzyl-1-[[(2S,4S)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperidine
CID 127027492
4-Benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
CID 127027494

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).