4-butyl-1-octylpiperidine

C17H35N — CID 171570418

IUPAC4-butyl-1-octylpiperidine
SMILESCCCCCCCCN1CCC(CCCC)CC1
InChIInChI=1S/C17H35N/c1-3-5-7-8-9-10-14-18-15-12-17(13-16-18)11-6-4-2/h17H,3-16H2,1-2H3
InChIKeyUUAFVDMUECATFK-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.25
Rot. Bonds10

About 4-butyl-1-octylpiperidine

4-butyl-1-octylpiperidine (PubChem CID 171570418) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-butyl-1-octylpiperidine.

Molecular Properties

Compound Name4-butyl-1-octylpiperidine
PubChem CID171570418
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-butyl-1-octylpiperidine
SMILESCCCCCCCCN1CCC(CCCC)CC1
InChIInChI=1S/C17H35N/c1-3-5-7-8-9-10-14-18-15-12-17(13-16-18)11-6-4-2/h17H,3-16H2,1-2H3
InChIKeyUUAFVDMUECATFK-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.25
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

4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
3-butyl-1-hexylpyrrolidine
CID 171570679
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
2-(4-nonylpiperidin-1-yl)ethanol;hydrochloride
CID 71395103

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-octylpiperidine?
The IUPAC name of 4-butyl-1-octylpiperidine (CID 171570418) is 4-butyl-1-octylpiperidine.
What is the SMILES notation for 4-butyl-1-octylpiperidine?
The canonical SMILES for 4-butyl-1-octylpiperidine is CCCCCCCCN1CCC(CCCC)CC1.
What is the InChIKey of 4-butyl-1-octylpiperidine?
The InChIKey is UUAFVDMUECATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-7-8-9-10-14-18-15-12-17(13-16-18)11-6-4-2/h17H,3-16H2,1-2H3.
What are the key properties of 4-butyl-1-octylpiperidine?
4-butyl-1-octylpiperidine has a molecular weight of 253.47 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-octylpiperidine is sourced from PubChem (CID 171570418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).