6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C18H33NO — CID 79852371

IUPAC6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1(CC)CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C18H33NO/c1-5-18(6-2)10-12-19(13-11-18)14-15-8-7-9-17(3,4)16(15)20/h15H,5-14H2,1-4H3
InChIKeyZORLHDICYXFMRJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds4

About 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852371) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852371
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1(CC)CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C18H33NO/c1-5-18(6-2)10-12-19(13-11-18)14-15-8-7-9-17(3,4)16(15)20/h15H,5-14H2,1-4H3
InChIKeyZORLHDICYXFMRJ-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 79852371) is 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CCC1(CC)CCN(CC2CCCC(C)(C)C2=O)CC1.
What is the InChIKey of 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is ZORLHDICYXFMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-18(6-2)10-12-19(13-11-18)14-15-8-7-9-17(3,4)16(15)20/h15H,5-14H2,1-4H3.
What are the key properties of 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).