1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine

C21H33NO — CID 3076287

IUPAC1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine
SMILESCC1(C)CC(CCN2CCCCC2)(Cc2ccccc2)CCO1
InChIInChI=1S/C21H33NO/c1-20(2)18-21(12-16-23-20,17-19-9-5-3-6-10-19)11-15-22-13-7-4-8-14-22/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3
InChIKeyCFYZQFZUHMFACC-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.68
Rot. Bonds5

About 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine

1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine (PubChem CID 3076287) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine
PubChem CID3076287
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine
SMILESCC1(C)CC(CCN2CCCCC2)(Cc2ccccc2)CCO1
InChIInChI=1S/C21H33NO/c1-20(2)18-21(12-16-23-20,17-19-9-5-3-6-10-19)11-15-22-13-7-4-8-14-22/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3
InChIKeyCFYZQFZUHMFACC-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine (CID 3076287) is 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine is CC1(C)CC(CCN2CCCCC2)(Cc2ccccc2)CCO1.
What is the InChIKey of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine?
The InChIKey is CFYZQFZUHMFACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-20(2)18-21(12-16-23-20,17-19-9-5-3-6-10-19)11-15-22-13-7-4-8-14-22/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3.
What are the key properties of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine?
1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine has a molecular weight of 315.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 3076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).