6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one

C15H21NO — CID 117020911

IUPAC6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
SMILESCC(c1ccccc1)N1CC(=O)CCC1(C)C
InChIInChI=1S/C15H21NO/c1-12(13-7-5-4-6-8-13)16-11-14(17)9-10-15(16,2)3/h4-8,12H,9-11H2,1-3H3
InChIKeyDMJZQQDEFIQJDN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds2

About 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one

6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one (PubChem CID 117020911) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
PubChem CID117020911
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
SMILESCC(c1ccccc1)N1CC(=O)CCC1(C)C
InChIInChI=1S/C15H21NO/c1-12(13-7-5-4-6-8-13)16-11-14(17)9-10-15(16,2)3/h4-8,12H,9-11H2,1-3H3
InChIKeyDMJZQQDEFIQJDN-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one (CID 117020911) is 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one is CC(c1ccccc1)N1CC(=O)CCC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one?
The InChIKey is DMJZQQDEFIQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(13-7-5-4-6-8-13)16-11-14(17)9-10-15(16,2)3/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one?
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one has a molecular weight of 231.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one is sourced from PubChem (CID 117020911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).