2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one

C17H31NO — CID 103966912

IUPAC2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one
SMILESCC1C(=O)CCN(C2CC(C)(C)CC(C)(C)C2)C1C
InChIInChI=1S/C17H31NO/c1-12-13(2)18(8-7-15(12)19)14-9-16(3,4)11-17(5,6)10-14/h12-14H,7-11H2,1-6H3
InChIKeyPYWKLAIIKQNMQC-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds1

About 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one

2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one (PubChem CID 103966912) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one
PubChem CID103966912
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one
SMILESCC1C(=O)CCN(C2CC(C)(C)CC(C)(C)C2)C1C
InChIInChI=1S/C17H31NO/c1-12-13(2)18(8-7-15(12)19)14-9-16(3,4)11-17(5,6)10-14/h12-14H,7-11H2,1-6H3
InChIKeyPYWKLAIIKQNMQC-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one (CID 103966912) is 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one is CC1C(=O)CCN(C2CC(C)(C)CC(C)(C)C2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one?
The InChIKey is PYWKLAIIKQNMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12-13(2)18(8-7-15(12)19)14-9-16(3,4)11-17(5,6)10-14/h12-14H,7-11H2,1-6H3.
What are the key properties of 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one?
2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one has a molecular weight of 265.44 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one is sourced from PubChem (CID 103966912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).