6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C16H29NO — CID 79852279

IUPAC6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1CCCN(CC2CCCC(C)(C)C2=O)C1C
InChIInChI=1S/C16H29NO/c1-12-7-6-10-17(13(12)2)11-14-8-5-9-16(3,4)15(14)18/h12-14H,5-11H2,1-4H3
InChIKeyPNGZHYCGVIRTCI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds2

About 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852279) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852279
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1CCCN(CC2CCCC(C)(C)C2=O)C1C
InChIInChI=1S/C16H29NO/c1-12-7-6-10-17(13(12)2)11-14-8-5-9-16(3,4)15(14)18/h12-14H,5-11H2,1-4H3
InChIKeyPNGZHYCGVIRTCI-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 79852279) is 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CC1CCCN(CC2CCCC(C)(C)C2=O)C1C.
What is the InChIKey of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is PNGZHYCGVIRTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12-7-6-10-17(13(12)2)11-14-8-5-9-16(3,4)15(14)18/h12-14H,5-11H2,1-4H3.
What are the key properties of 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).