4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine

C28H43NO2 — CID 127027494

IUPAC4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3COC(C4CCCCC4)(C4CCCCC4)O3)CC2)cc1
InChIInChI=1S/C28H43NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,24-27H,2-3,6-9,12-22H2
InChIKeyFWDUPNYADPOYEM-UHFFFAOYSA-N
MW425.66 g/mol
LogP6.21
Rot. Bonds6

About 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine

4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine (PubChem CID 127027494) has the molecular formula C28H43NO2 and a molecular weight of 425.66 g/mol. Its IUPAC name is 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
PubChem CID127027494
Molecular FormulaC28H43NO2
Molecular Weight425.66 g/mol
Exact Mass425.33
IUPAC Name4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3COC(C4CCCCC4)(C4CCCCC4)O3)CC2)cc1
InChIInChI=1S/C28H43NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,24-27H,2-3,6-9,12-22H2
InChIKeyFWDUPNYADPOYEM-UHFFFAOYSA-N
XLogP6.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine with MolForge

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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-{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
1-benzyl-4-[[(2S,4R)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 127027491
4-benzyl-1-[[(2S,4S)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperidine
CID 127027492
1-benzyl-4-[[(2S,4S)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 127027493
1-Benzyl-4-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027495

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine (CID 127027494) is 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine is c1ccc(CC2CCN(CC3COC(C4CCCCC4)(C4CCCCC4)O3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine?
The InChIKey is FWDUPNYADPOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,24-27H,2-3,6-9,12-22H2.
What are the key properties of 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine?
4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine has a molecular weight of 425.66 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine is sourced from PubChem (CID 127027494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).