1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one

C24H47NO2 — CID 139843230

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CO
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)25-21-18-17-19-23(25)22-26/h23,26H,2-22H2,1H3
InChIKeyJWBACQHYYTZAKT-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.62
Rot. Bonds17

About 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one

1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one (PubChem CID 139843230) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one
PubChem CID139843230
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CO
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)25-21-18-17-19-23(25)22-26/h23,26H,2-22H2,1H3
InChIKeyJWBACQHYYTZAKT-UHFFFAOYSA-N
XLogP6.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-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

Lauric acid diethanolamide
CID 8430
N,N-Bis(2-hydroxyethyl)hexadecanamide
CID 82046
N,N-Bis(2-hydroxyethyl)octadecanamide
CID 7163
Myristic acid diethanolamide
CID 82045
Behenoyl diethanolamide
CID 14455181
N-Hydroxyethyl-N-methylstearamide
CID 11067823
6-(Hydroxymethyl)-1-methyl-2-piperidinone
CID 69628603
2-Dodecanone, 12-(5-hydroxy-1,6-dimethyl-2-piperidinyl)-, (2S-(2alpha,5alpha,6alpha))-
CID 156624
N-Hydroxyethyl-N-methylpalmitamide
CID 22321442
N-Hydroxyethyl-N-methylmyristamide
CID 22600618
4-(12-Hydroxystearoyl)morpholine
CID 85832757
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-pentylpropanamide
CID 100729910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one (CID 139843230) is 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one is CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one?
The InChIKey is JWBACQHYYTZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)25-21-18-17-19-23(25)22-26/h23,26H,2-22H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one has a molecular weight of 381.65 g/mol, XLogP of 6.62, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]octadecan-1-one is sourced from PubChem (CID 139843230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).