12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one

C18H35NO2 — CID 11130276

IUPAC12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
SMILESCC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKeyQPRMGHKASRLPJP-BZSNNMDCSA-N
MW297.48 g/mol
LogP3.98
Rot. Bonds11

About 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one

12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one (PubChem CID 11130276) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one.

Molecular Properties

Compound Name12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
PubChem CID11130276
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
SMILESCC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKeyQPRMGHKASRLPJP-BZSNNMDCSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
CID 72829813
(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
CID 100961122
(Z)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
CID 11226973
tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate
CID 11669814
(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
CID 162990580
(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
CID 11790065
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
(2R,3R,6R)-6-[10-[(8R,8aS)-6-[10-[(2R,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol;dihydrochloride
CID 25207978
1-cyclobutylnonane-1,8-dione
CID 70928486
6-[10-[8-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 14335261

Frequently Asked Questions

What is the IUPAC name of 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one?
The IUPAC name of 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one (CID 11130276) is 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one.
What is the SMILES notation for 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one?
The canonical SMILES for 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one is CC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1.
What is the InChIKey of 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one?
The InChIKey is QPRMGHKASRLPJP-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17-,18-/m0/s1.
What are the key properties of 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one?
12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one has a molecular weight of 297.48 g/mol, XLogP of 3.98, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one is sourced from PubChem (CID 11130276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).