7-methyl-1-piperidin-1-yloctane-1,6-dione

C14H25NO2 — CID 166128163

IUPAC7-methyl-1-piperidin-1-yloctane-1,6-dione
SMILESCC(C)C(=O)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)13(16)8-4-5-9-14(17)15-10-6-3-7-11-15/h12H,3-11H2,1-2H3
InChIKeyNFILLSRGGDUPJB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.78
Rot. Bonds6

About 7-methyl-1-piperidin-1-yloctane-1,6-dione

7-methyl-1-piperidin-1-yloctane-1,6-dione (PubChem CID 166128163) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-methyl-1-piperidin-1-yloctane-1,6-dione.

Molecular Properties

Compound Name7-methyl-1-piperidin-1-yloctane-1,6-dione
PubChem CID166128163
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name7-methyl-1-piperidin-1-yloctane-1,6-dione
SMILESCC(C)C(=O)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)13(16)8-4-5-9-14(17)15-10-6-3-7-11-15/h12H,3-11H2,1-2H3
InChIKeyNFILLSRGGDUPJB-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
CID 170583680
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione
CID 169029578
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-piperidin-1-yloctane-1,6-dione?
The IUPAC name of 7-methyl-1-piperidin-1-yloctane-1,6-dione (CID 166128163) is 7-methyl-1-piperidin-1-yloctane-1,6-dione.
What is the SMILES notation for 7-methyl-1-piperidin-1-yloctane-1,6-dione?
The canonical SMILES for 7-methyl-1-piperidin-1-yloctane-1,6-dione is CC(C)C(=O)CCCCC(=O)N1CCCCC1.
What is the InChIKey of 7-methyl-1-piperidin-1-yloctane-1,6-dione?
The InChIKey is NFILLSRGGDUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)13(16)8-4-5-9-14(17)15-10-6-3-7-11-15/h12H,3-11H2,1-2H3.
What are the key properties of 7-methyl-1-piperidin-1-yloctane-1,6-dione?
7-methyl-1-piperidin-1-yloctane-1,6-dione has a molecular weight of 239.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-piperidin-1-yloctane-1,6-dione is sourced from PubChem (CID 166128163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).