1-ethyl-2-hexadecylpiperidine

C23H47N — CID 159279911

IUPAC1-ethyl-2-hexadecylpiperidine
SMILESCCCCCCCCCCCCCCCCC1CCCCN1CC
InChIInChI=1S/C23H47N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)4-2/h23H,3-22H2,1-2H3
InChIKeyKYTXXEPLUKYOKZ-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.73
Rot. Bonds16

About 1-ethyl-2-hexadecylpiperidine

1-ethyl-2-hexadecylpiperidine (PubChem CID 159279911) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 1-ethyl-2-hexadecylpiperidine.

Molecular Properties

Compound Name1-ethyl-2-hexadecylpiperidine
PubChem CID159279911
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name1-ethyl-2-hexadecylpiperidine
SMILESCCCCCCCCCCCCCCCCC1CCCCN1CC
InChIInChI=1S/C23H47N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)4-2/h23H,3-22H2,1-2H3
InChIKeyKYTXXEPLUKYOKZ-UHFFFAOYSA-N
XLogP7.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-hexadecylpiperidine 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

2-butyl-1-hexylpiperidine
CID 171569565
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
1-pentyl-2-propylpiperidine
CID 54429991
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
2-nonylpiperidine-1-carboxylic acid
CID 69469776
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
1,2-diethylpiperidine
CID 19604037
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-dodecyl-2-ethylpiperidine
CID 171569899
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexadecylpiperidine?
The IUPAC name of 1-ethyl-2-hexadecylpiperidine (CID 159279911) is 1-ethyl-2-hexadecylpiperidine.
What is the SMILES notation for 1-ethyl-2-hexadecylpiperidine?
The canonical SMILES for 1-ethyl-2-hexadecylpiperidine is CCCCCCCCCCCCCCCCC1CCCCN1CC.
What is the InChIKey of 1-ethyl-2-hexadecylpiperidine?
The InChIKey is KYTXXEPLUKYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)4-2/h23H,3-22H2,1-2H3.
What are the key properties of 1-ethyl-2-hexadecylpiperidine?
1-ethyl-2-hexadecylpiperidine has a molecular weight of 337.64 g/mol, XLogP of 7.73, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexadecylpiperidine is sourced from PubChem (CID 159279911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).