2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone

C20H29NO2 — CID 2835266

IUPAC2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone
SMILESCC1(C)CC(CC(=O)N2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H29NO2/c1-19(2)16-20(11-14-23-19,17-9-5-3-6-10-17)15-18(22)21-12-7-4-8-13-21/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3
InChIKeyVSIPOELZYBPSLP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.92
Rot. Bonds3

About 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone

2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone (PubChem CID 2835266) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone
PubChem CID2835266
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone
SMILESCC1(C)CC(CC(=O)N2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H29NO2/c1-19(2)16-20(11-14-23-19,17-9-5-3-6-10-17)15-18(22)21-12-7-4-8-13-21/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3
InChIKeyVSIPOELZYBPSLP-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone (CID 2835266) is 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone is CC1(C)CC(CC(=O)N2CCCCC2)(c2ccccc2)CCO1.
What is the InChIKey of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone?
The InChIKey is VSIPOELZYBPSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-19(2)16-20(11-14-23-19,17-9-5-3-6-10-17)15-18(22)21-12-7-4-8-13-21/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone?
2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone has a molecular weight of 315.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 2835266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).