8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one

C16H27NO — CID 166447533

IUPAC8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one
SMILESCC(C)(C)C#CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C16H27NO/c1-16(2,3)12-8-5-4-7-11-15(18)17-13-9-6-10-14-17/h4-7,9-11,13-14H2,1-3H3
InChIKeyMEEKUWXXAGWFNO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.61
Rot. Bonds4

About 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one

8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one (PubChem CID 166447533) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one.

Molecular Properties

Compound Name8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one
PubChem CID166447533
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one
SMILESCC(C)(C)C#CCCCCC(=O)N1CCCCC1
InChIInChI=1S/C16H27NO/c1-16(2,3)12-8-5-4-7-11-15(18)17-13-9-6-10-14-17/h4-7,9-11,13-14H2,1-3H3
InChIKeyMEEKUWXXAGWFNO-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Hexanoylpiperidine
CID 246831
1-(Piperidin-1-yl)hept-6-yn-1-one
CID 103907305
N,N-diethylhept-6-ynamide
CID 86003253
1-Methyl-1-azacyclohexadec-7-yn-2-one
CID 134978589
1-(2,2-Dimethylpropyl)piperidin-2-one
CID 22960537
5,5-Dimethyl-1-piperidin-1-ylhexan-1-one
CID 57303316
1-Piperidin-1-ylhex-5-yn-1-one
CID 87057856
1-Piperidin-1-ylhex-3-yn-1-one
CID 91008363
2,2-Dimethyl-1-piperidin-1-ylhexan-1-one
CID 139332176
N-ethyl-N-methylhept-6-ynamide
CID 142437748
Ethane;1-piperidin-1-ylhexan-1-one
CID 143870024
Hexane;1-piperidin-1-ylhexan-1-one
CID 144112363

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one?
The IUPAC name of 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one (CID 166447533) is 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one.
What is the SMILES notation for 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one?
The canonical SMILES for 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one is CC(C)(C)C#CCCCCC(=O)N1CCCCC1.
What is the InChIKey of 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one?
The InChIKey is MEEKUWXXAGWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)12-8-5-4-7-11-15(18)17-13-9-6-10-14-17/h4-7,9-11,13-14H2,1-3H3.
What are the key properties of 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one?
8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-piperidin-1-ylnon-6-yn-1-one is sourced from PubChem (CID 166447533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).