2-butyl-1-hexylpiperidine

C15H31N — CID 171569565

IUPAC2-butyl-1-hexylpiperidine
SMILESCCCCCCN1CCCCC1CCCC
InChIInChI=1S/C15H31N/c1-3-5-7-9-13-16-14-10-8-12-15(16)11-6-4-2/h15H,3-14H2,1-2H3
InChIKeyJJKQESYEKDKITI-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.61
Rot. Bonds8

About 2-butyl-1-hexylpiperidine

2-butyl-1-hexylpiperidine (PubChem CID 171569565) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-butyl-1-hexylpiperidine.

Molecular Properties

Compound Name2-butyl-1-hexylpiperidine
PubChem CID171569565
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-butyl-1-hexylpiperidine
SMILESCCCCCCN1CCCCC1CCCC
InChIInChI=1S/C15H31N/c1-3-5-7-9-13-16-14-10-8-12-15(16)11-6-4-2/h15H,3-14H2,1-2H3
InChIKeyJJKQESYEKDKITI-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.61
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

2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
1-pentyl-2-propylpiperidine
CID 54429991
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
1-dodecyl-2-ethylpiperidine
CID 171569899
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
1-ethyl-2-hexadecylpiperidine
CID 159279911
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-hexylpiperidine?
The IUPAC name of 2-butyl-1-hexylpiperidine (CID 171569565) is 2-butyl-1-hexylpiperidine.
What is the SMILES notation for 2-butyl-1-hexylpiperidine?
The canonical SMILES for 2-butyl-1-hexylpiperidine is CCCCCCN1CCCCC1CCCC.
What is the InChIKey of 2-butyl-1-hexylpiperidine?
The InChIKey is JJKQESYEKDKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-7-9-13-16-14-10-8-12-15(16)11-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 2-butyl-1-hexylpiperidine?
2-butyl-1-hexylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-hexylpiperidine is sourced from PubChem (CID 171569565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).