1-piperidin-3-ylnonan-1-one

C14H27NO — CID 116547942

IUPAC1-piperidin-3-ylnonan-1-one
SMILESCCCCCCCCC(=O)C1CCCNC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-14(16)13-9-8-11-15-12-13/h13,15H,2-12H2,1H3
InChIKeyQVBUZXUTUJMKDL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.31
Rot. Bonds8

About 1-piperidin-3-ylnonan-1-one

1-piperidin-3-ylnonan-1-one (PubChem CID 116547942) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-piperidin-3-ylnonan-1-one.

Molecular Properties

Compound Name1-piperidin-3-ylnonan-1-one
PubChem CID116547942
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-piperidin-3-ylnonan-1-one
SMILESCCCCCCCCC(=O)C1CCCNC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-14(16)13-9-8-11-15-12-13/h13,15H,2-12H2,1H3
InChIKeyQVBUZXUTUJMKDL-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.31
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-cyclobutyldodecan-1-one
CID 115811550
1-piperidin-3-yloct-7-en-1-one
CID 107010785
heptyl piperidine-3-carboxylate
CID 13360541
1-cyclohexyldecan-1-one
CID 63409715
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
(3R)-N-pentanoylpiperidine-3-carboxamide
CID 174696640
N'-pentanoylpiperidine-3-carbohydrazide
CID 91467996
hexadecan-8-yl piperidine-3-carboxylate
CID 129288016
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylnonan-1-one?
The IUPAC name of 1-piperidin-3-ylnonan-1-one (CID 116547942) is 1-piperidin-3-ylnonan-1-one.
What is the SMILES notation for 1-piperidin-3-ylnonan-1-one?
The canonical SMILES for 1-piperidin-3-ylnonan-1-one is CCCCCCCCC(=O)C1CCCNC1.
What is the InChIKey of 1-piperidin-3-ylnonan-1-one?
The InChIKey is QVBUZXUTUJMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-14(16)13-9-8-11-15-12-13/h13,15H,2-12H2,1H3.
What are the key properties of 1-piperidin-3-ylnonan-1-one?
1-piperidin-3-ylnonan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylnonan-1-one is sourced from PubChem (CID 116547942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).