1-hexadecan-5-ylpiperidine

C21H43N — CID 175488405

IUPAC1-hexadecan-5-ylpiperidine
SMILESCCCCCCCCCCCC(CCCC)N1CCCCC1
InChIInChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-14-18-21(17-6-4-2)22-19-15-13-16-20-22/h21H,3-20H2,1-2H3
InChIKeyOZBGPUMKWLUCBW-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.95
Rot. Bonds14

About 1-hexadecan-5-ylpiperidine

1-hexadecan-5-ylpiperidine (PubChem CID 175488405) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 1-hexadecan-5-ylpiperidine.

Molecular Properties

Compound Name1-hexadecan-5-ylpiperidine
PubChem CID175488405
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name1-hexadecan-5-ylpiperidine
SMILESCCCCCCCCCCCC(CCCC)N1CCCCC1
InChIInChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-14-18-21(17-6-4-2)22-19-15-13-16-20-22/h21H,3-20H2,1-2H3
InChIKeyOZBGPUMKWLUCBW-UHFFFAOYSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-undecan-5-ylpiperidine
CID 174506253
1-decan-4-ylpiperidine
CID 142178259
1-decan-3-ylpiperidine
CID 68984931
1-octan-4-ylazonane
CID 123427772
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
methane;1-octan-4-ylpiperidine
CID 143122058
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-octadecan-4-ylaziridine
CID 87223215
3-piperidin-1-ylnonanoic acid
CID 64527594

Frequently Asked Questions

What is the IUPAC name of 1-hexadecan-5-ylpiperidine?
The IUPAC name of 1-hexadecan-5-ylpiperidine (CID 175488405) is 1-hexadecan-5-ylpiperidine.
What is the SMILES notation for 1-hexadecan-5-ylpiperidine?
The canonical SMILES for 1-hexadecan-5-ylpiperidine is CCCCCCCCCCCC(CCCC)N1CCCCC1.
What is the InChIKey of 1-hexadecan-5-ylpiperidine?
The InChIKey is OZBGPUMKWLUCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-14-18-21(17-6-4-2)22-19-15-13-16-20-22/h21H,3-20H2,1-2H3.
What are the key properties of 1-hexadecan-5-ylpiperidine?
1-hexadecan-5-ylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecan-5-ylpiperidine is sourced from PubChem (CID 175488405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).