4-hexadecylpiperidine

C21H43N — CID 54096875

IUPAC4-hexadecylpiperidine
SMILESCCCCCCCCCCCCCCCCC1CCNCC1
InChIInChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h21-22H,2-20H2,1H3
InChIKeyOBQFQTBUALDBSJ-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.86
Rot. Bonds15

About 4-hexadecylpiperidine

4-hexadecylpiperidine (PubChem CID 54096875) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-hexadecylpiperidine.

Molecular Properties

Compound Name4-hexadecylpiperidine
PubChem CID54096875
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-hexadecylpiperidine
SMILESCCCCCCCCCCCCCCCCC1CCNCC1
InChIInChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h21-22H,2-20H2,1H3
InChIKeyOBQFQTBUALDBSJ-UHFFFAOYSA-N
XLogP6.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-heptylpiperidine;methane
CID 144690559
4-pentylazecane
CID 166829392
(3S)-3-pentylpyrrolidine
CID 10261191
4-butylpiperidine;formonitrile
CID 142168007
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
azane;hexylcyclopropane
CID 135322230
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
hexane;pentylcyclopropane
CID 159592467
4-butylpiperidine;isocyanic acid
CID 175010642

Frequently Asked Questions

What is the IUPAC name of 4-hexadecylpiperidine?
The IUPAC name of 4-hexadecylpiperidine (CID 54096875) is 4-hexadecylpiperidine.
What is the SMILES notation for 4-hexadecylpiperidine?
The canonical SMILES for 4-hexadecylpiperidine is CCCCCCCCCCCCCCCCC1CCNCC1.
What is the InChIKey of 4-hexadecylpiperidine?
The InChIKey is OBQFQTBUALDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h21-22H,2-20H2,1H3.
What are the key properties of 4-hexadecylpiperidine?
4-hexadecylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 6.86, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecylpiperidine is sourced from PubChem (CID 54096875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).