4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine

C17H33NO2 — CID 145402953

IUPAC4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(C2CCOC(C)(C)C2)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)19-12-10-18-8-5-15(6-9-18)16-7-11-20-17(3,4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyDTIMGBHSSQTKKA-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.33
Rot. Bonds5

About 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine

4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 145402953) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID145402953
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(C2CCOC(C)(C)C2)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)19-12-10-18-8-5-15(6-9-18)16-7-11-20-17(3,4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyDTIMGBHSSQTKKA-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine (CID 145402953) is 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCC(C2CCOC(C)(C)C2)CC1.
What is the InChIKey of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is DTIMGBHSSQTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)19-12-10-18-8-5-15(6-9-18)16-7-11-20-17(3,4)13-16/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 283.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 145402953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).