(2S,6R)-2-butyl-6-hexylpiperidine

C15H31N — CID 139750067

IUPAC(2S,6R)-2-butyl-6-hexylpiperidine
SMILESCCCCCC[C@@H]1CCC[C@H](CCCC)N1
InChIInChI=1S/C15H31N/c1-3-5-7-8-11-15-13-9-12-14(16-15)10-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyOQAUGFRHQALJQT-LSDHHAIUSA-N
MW225.42 g/mol
LogP4.66
Rot. Bonds8

About (2S,6R)-2-butyl-6-hexylpiperidine

(2S,6R)-2-butyl-6-hexylpiperidine (PubChem CID 139750067) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2S,6R)-2-butyl-6-hexylpiperidine.

Molecular Properties

Compound Name(2S,6R)-2-butyl-6-hexylpiperidine
PubChem CID139750067
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2S,6R)-2-butyl-6-hexylpiperidine
SMILESCCCCCC[C@@H]1CCC[C@H](CCCC)N1
InChIInChI=1S/C15H31N/c1-3-5-7-8-11-15-13-9-12-14(16-15)10-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyOQAUGFRHQALJQT-LSDHHAIUSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.66
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

(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
6-octylpiperidine-2-carboxylic acid
CID 112574283
2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
(2S)-2-hexylpyrrolidine
CID 7047826

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-butyl-6-hexylpiperidine?
The IUPAC name of (2S,6R)-2-butyl-6-hexylpiperidine (CID 139750067) is (2S,6R)-2-butyl-6-hexylpiperidine.
What is the SMILES notation for (2S,6R)-2-butyl-6-hexylpiperidine?
The canonical SMILES for (2S,6R)-2-butyl-6-hexylpiperidine is CCCCCC[C@@H]1CCC[C@H](CCCC)N1.
What is the InChIKey of (2S,6R)-2-butyl-6-hexylpiperidine?
The InChIKey is OQAUGFRHQALJQT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-7-8-11-15-13-9-12-14(16-15)10-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2S,6R)-2-butyl-6-hexylpiperidine?
(2S,6R)-2-butyl-6-hexylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-butyl-6-hexylpiperidine is sourced from PubChem (CID 139750067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).