1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one

C15H29NO2 — CID 80707384

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-14(17)16-12-10-15(2,18)11-13-16/h18H,3-13H2,1-2H3
InChIKeyJBZYLFMRINHICZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.11
Rot. Bonds7

About 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one

1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one (PubChem CID 80707384) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
PubChem CID80707384
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-14(17)16-12-10-15(2,18)11-13-16/h18H,3-13H2,1-2H3
InChIKeyJBZYLFMRINHICZ-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
4-methyl-1-octanoylpiperidine-4-carbonitrile
CID 113364826
1-[4-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 115304579
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707058
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one (CID 80707384) is 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one is CCCCCCCCC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one?
The InChIKey is JBZYLFMRINHICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-14(17)16-12-10-15(2,18)11-13-16/h18H,3-13H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one?
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one has a molecular weight of 255.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one is sourced from PubChem (CID 80707384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).