2-hexyl-6-phenylpiperidine

C17H27N — CID 102584089

IUPAC2-hexyl-6-phenylpiperidine
SMILESCCCCCCC1CCCC(c2ccccc2)N1
InChIInChI=1S/C17H27N/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,10-11,16-18H,2-4,8-9,12-14H2,1H3
InChIKeyYZZTYFZWGXCAAW-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.84
Rot. Bonds6

About 2-hexyl-6-phenylpiperidine

2-hexyl-6-phenylpiperidine (PubChem CID 102584089) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-hexyl-6-phenylpiperidine.

Molecular Properties

Compound Name2-hexyl-6-phenylpiperidine
PubChem CID102584089
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-hexyl-6-phenylpiperidine
SMILESCCCCCCC1CCCC(c2ccccc2)N1
InChIInChI=1S/C17H27N/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,10-11,16-18H,2-4,8-9,12-14H2,1H3
InChIKeyYZZTYFZWGXCAAW-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.84
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,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine
CID 45489899
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
6-octylpiperidine-2-carboxylic acid
CID 112574283
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-phenylpiperidine?
The IUPAC name of 2-hexyl-6-phenylpiperidine (CID 102584089) is 2-hexyl-6-phenylpiperidine.
What is the SMILES notation for 2-hexyl-6-phenylpiperidine?
The canonical SMILES for 2-hexyl-6-phenylpiperidine is CCCCCCC1CCCC(c2ccccc2)N1.
What is the InChIKey of 2-hexyl-6-phenylpiperidine?
The InChIKey is YZZTYFZWGXCAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,10-11,16-18H,2-4,8-9,12-14H2,1H3.
What are the key properties of 2-hexyl-6-phenylpiperidine?
2-hexyl-6-phenylpiperidine has a molecular weight of 245.41 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-phenylpiperidine is sourced from PubChem (CID 102584089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).