12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one

C18H35NO2 — CID 575174

IUPAC12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
SMILESCC(=O)CCCCCCCCCCC1CCC(O)C(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
InChIKeyQPRMGHKASRLPJP-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.98
Rot. Bonds11

About 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one

12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one (PubChem CID 575174) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one.

Molecular Properties

Compound Name12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
PubChem CID575174
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
SMILESCC(=O)CCCCCCCCCCC1CCC(O)C(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
InChIKeyQPRMGHKASRLPJP-UHFFFAOYSA-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'}

Analyze 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
CID 193405
N-(dodecanoyl)-sphinganine
CID 53481046
2-Methyl-6-(13-oxotetradecyl)piperidin-3-YL acetate, (2R,3R,6S)-
CID 10474155
Spectaline
CID 10404073
Cer(d18:0/8:0)
CID 6610274
(-)-Spectaline
CID 10019240
N-(tridecanoyl)-sphinganine
CID 52931113
Prosopinine
CID 42608371
6-(11-Hydroxydodecyl)-2-(hydroxymethyl)piperidin-3-ol
CID 315679
(3R)-3-hydroxy-12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid
CID 11078006
14-(5-Hydroxy-6-methyl-2-piperidinyl)-2-tetradecanone
CID 14312868
Andrachcinidine
CID 101056755

Frequently Asked Questions

What is the IUPAC name of 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one?
The IUPAC name of 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one (CID 575174) is 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one.
What is the SMILES notation for 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one?
The canonical SMILES for 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one is CC(=O)CCCCCCCCCCC1CCC(O)C(C)N1.
What is the InChIKey of 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one?
The InChIKey is QPRMGHKASRLPJP-UHFFFAOYSA-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.
What are the key properties of 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one?
12-(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-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one is sourced from PubChem (CID 575174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).