3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one

C15H27NO — CID 10977478

IUPAC3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one
SMILESCC(C)=CCCC(C)CC(=O)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-13(2)8-7-9-14(3)12-15(17)16-10-5-4-6-11-16/h8,14H,4-7,9-12H2,1-3H3
InChIKeyPJDBOPSFXRUMJX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds5

About 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one

3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one (PubChem CID 10977478) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one.

Molecular Properties

Compound Name3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one
PubChem CID10977478
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one
SMILESCC(C)=CCCC(C)CC(=O)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-13(2)8-7-9-14(3)12-15(17)16-10-5-4-6-11-16/h8,14H,4-7,9-12H2,1-3H3
InChIKeyPJDBOPSFXRUMJX-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one?
The IUPAC name of 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one (CID 10977478) is 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one.
What is the SMILES notation for 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one?
The canonical SMILES for 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one is CC(C)=CCCC(C)CC(=O)N1CCCCC1.
What is the InChIKey of 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one?
The InChIKey is PJDBOPSFXRUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)8-7-9-14(3)12-15(17)16-10-5-4-6-11-16/h8,14H,4-7,9-12H2,1-3H3.
What are the key properties of 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one?
3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-piperidin-1-yloct-6-en-1-one is sourced from PubChem (CID 10977478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).