4-butoxy-1-(5-methylhexyl)piperidine

C16H33NO — CID 156530555

IUPAC4-butoxy-1-(5-methylhexyl)piperidine
SMILESCCCCOC1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-14-18-16-9-12-17(13-10-16)11-7-6-8-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyJYFUEDUDENCHEG-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.09
Rot. Bonds9

About 4-butoxy-1-(5-methylhexyl)piperidine

4-butoxy-1-(5-methylhexyl)piperidine (PubChem CID 156530555) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-butoxy-1-(5-methylhexyl)piperidine.

Molecular Properties

Compound Name4-butoxy-1-(5-methylhexyl)piperidine
PubChem CID156530555
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-butoxy-1-(5-methylhexyl)piperidine
SMILESCCCCOC1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-14-18-16-9-12-17(13-10-16)11-7-6-8-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyJYFUEDUDENCHEG-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
3-pentoxy-1-pentylpyrrolidine
CID 67812349
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
4-butoxy-1-methylpiperidine;ethane
CID 143443948
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
N-ethyl-1-(7-methyloctyl)piperidin-4-amine
CID 114004129
7-(5-methylhexyl)-2-(4-methylpentoxy)-7-azaspiro[3.5]nonane
CID 167418222
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
1-decyl-4-propan-2-ylpiperidine
CID 166461232
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
ethane;4-propoxy-1-propylpiperidine
CID 156867917

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-(5-methylhexyl)piperidine?
The IUPAC name of 4-butoxy-1-(5-methylhexyl)piperidine (CID 156530555) is 4-butoxy-1-(5-methylhexyl)piperidine.
What is the SMILES notation for 4-butoxy-1-(5-methylhexyl)piperidine?
The canonical SMILES for 4-butoxy-1-(5-methylhexyl)piperidine is CCCCOC1CCN(CCCCC(C)C)CC1.
What is the InChIKey of 4-butoxy-1-(5-methylhexyl)piperidine?
The InChIKey is JYFUEDUDENCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-5-14-18-16-9-12-17(13-10-16)11-7-6-8-15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 4-butoxy-1-(5-methylhexyl)piperidine?
4-butoxy-1-(5-methylhexyl)piperidine has a molecular weight of 255.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-(5-methylhexyl)piperidine is sourced from PubChem (CID 156530555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).