1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)

C66H127N5O5 — CID 159999531

IUPAC1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)
SMILESCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCCC1=O.CCCCCCCCN1CCCCC1=O
InChIInChI=1S/C14H27NO.4C13H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-14(16)10-13-15;2*1-2-3-4-5-6-8-11-14-12-9-7-10-13(14)15;2*1-2-3-4-5-6-7-10-14-11-8-9-13(15)12-14/h2-13H2,1H3;4*2-12H2,1H3
InChIKeyOHZHXCWOEHOXHH-UHFFFAOYSA-N
MW1070.77 g/mol
LogP16.14
Rot. Bonds36

About 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)

1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) (PubChem CID 159999531) has the molecular formula C66H127N5O5 and a molecular weight of 1070.77 g/mol. Its IUPAC name is 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one).

Molecular Properties

Compound Name1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)
PubChem CID159999531
Molecular FormulaC66H127N5O5
Molecular Weight1070.77 g/mol
Exact Mass1069.98
IUPAC Name1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)
SMILESCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCCC1=O.CCCCCCCCN1CCCCC1=O
InChIInChI=1S/C14H27NO.4C13H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-14(16)10-13-15;2*1-2-3-4-5-6-8-11-14-12-9-7-10-13(14)15;2*1-2-3-4-5-6-7-10-14-11-8-9-13(15)12-14/h2-13H2,1H3;4*2-12H2,1H3
InChIKeyOHZHXCWOEHOXHH-UHFFFAOYSA-N
XLogP16.14
TPSA101.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.77
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) with MolForge

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Related Compounds

Bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)
CID 158401722
Bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)
CID 158462963
Methane;nonakis(1-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]pentane-1,4-dione)
CID 158947743
Bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)
CID 160555203
Bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
CID 160557550

Frequently Asked Questions

What is the IUPAC name of 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)?
The IUPAC name of 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) (CID 159999531) is 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one).
What is the SMILES notation for 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)?
The canonical SMILES for 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) is CCCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCC(=O)C1.CCCCCCCCN1CCCCC1=O.CCCCCCCCN1CCCCC1=O.
What is the InChIKey of 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)?
The InChIKey is OHZHXCWOEHOXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.4C13H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-14(16)10-13-15;2*1-2-3-4-5-6-8-11-14-12-9-7-10-13(14)15;2*1-2-3-4-5-6-7-10-14-11-8-9-13(15)12-14/h2-13H2,1H3;4*2-12H2,1H3.
What are the key properties of 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)?
1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) has a molecular weight of 1070.77 g/mol, XLogP of 16.14, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one) is sourced from PubChem (CID 159999531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).