(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one

C13H25NO2 — CID 58635308

IUPAC(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one
SMILESCCCCCCCN1C(=O)CCC[C@@H]1CO
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-10-14-12(11-15)8-7-9-13(14)16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKeyKBCAFHJNRLPXJC-GFCCVEGCSA-N
MW227.35 g/mol
LogP2.33
Rot. Bonds7

About (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one

(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one (PubChem CID 58635308) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one
PubChem CID58635308
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one
SMILESCCCCCCCN1C(=O)CCC[C@@H]1CO
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-10-14-12(11-15)8-7-9-13(14)16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKeyKBCAFHJNRLPXJC-GFCCVEGCSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.33
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

6-(Hydroxymethyl)-1-methyl-2-piperidinone
CID 69628603
(6R)-6-[(1R)-1-hydroxyhexyl]piperidin-2-one
CID 66573750
(6S)-6-[(1S)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 101497217
(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 135080249
1-Pentanoyl-2-(2-hydroxyethyl)-piperidine
CID 9834346
6-Hydroxy-1-(1-piperidinyl-1-hexanone
CID 13088432
1-[2-(Hydroxymethyl)piperidin-1-yl]ethan-1-one
CID 14043897
1-[(2R)-2-(Hydroxymethyl)piperidin-1-YL]ethanone
CID 14043899
1-[2-(2-Hydroxyethyl)piperidin-1-yl]propan-1-one
CID 14280032
1-[2-(Hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 18340848
1-[2-(Hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 18431114
1-[2-(2-Hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 18789385

Frequently Asked Questions

What is the IUPAC name of (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one (CID 58635308) is (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one is CCCCCCCN1C(=O)CCC[C@@H]1CO.
What is the InChIKey of (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is KBCAFHJNRLPXJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-10-14-12(11-15)8-7-9-13(14)16/h12,15H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one?
(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 58635308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).