1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione

C18H32N2O2 — CID 4990135

IUPAC1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione
SMILESCC1CCN(C(=O)CCCCC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-15-7-11-19(12-8-15)17(21)5-3-4-6-18(22)20-13-9-16(2)10-14-20/h15-16H,3-14H2,1-2H3
InChIKeyWCLHLRYOUTXHOE-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.06
Rot. Bonds5

About 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione

1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione (PubChem CID 4990135) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione
PubChem CID4990135
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione
SMILESCC1CCN(C(=O)CCCCC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-15-7-11-19(12-8-15)17(21)5-3-4-6-18(22)20-13-9-16(2)10-14-20/h15-16H,3-14H2,1-2H3
InChIKeyWCLHLRYOUTXHOE-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione?
The IUPAC name of 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione (CID 4990135) is 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione.
What is the SMILES notation for 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione?
The canonical SMILES for 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione is CC1CCN(C(=O)CCCCC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione?
The InChIKey is WCLHLRYOUTXHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15-7-11-19(12-8-15)17(21)5-3-4-6-18(22)20-13-9-16(2)10-14-20/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione?
1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione has a molecular weight of 308.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-methylpiperidin-1-yl)hexane-1,6-dione is sourced from PubChem (CID 4990135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).