2-hexyl-5-methylpiperidine

C12H25N — CID 106778394

IUPAC2-hexyl-5-methylpiperidine
SMILESCCCCCCC1CCC(C)CN1
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-12-9-8-11(2)10-13-12/h11-13H,3-10H2,1-2H3
InChIKeyCXQGQNOHWMKJRO-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds5

About 2-hexyl-5-methylpiperidine

2-hexyl-5-methylpiperidine (PubChem CID 106778394) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-hexyl-5-methylpiperidine.

Molecular Properties

Compound Name2-hexyl-5-methylpiperidine
PubChem CID106778394
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-hexyl-5-methylpiperidine
SMILESCCCCCCC1CCC(C)CN1
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-12-9-8-11(2)10-13-12/h11-13H,3-10H2,1-2H3
InChIKeyCXQGQNOHWMKJRO-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
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

2-heptyl-5-methylpiperidine
CID 106778362
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
2-hexyl-5-methylpiperazine
CID 153393891
2-pentylaziridine
CID 19101061
6-nonylpiperidine-3-sulfonamide
CID 106778339
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S)-2-hexylpyrrolidine
CID 7047826
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
2-tetradecylpiperidine
CID 151771246
5-methyl-2-(3-methylpentyl)piperidine
CID 112556928

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methylpiperidine?
The IUPAC name of 2-hexyl-5-methylpiperidine (CID 106778394) is 2-hexyl-5-methylpiperidine.
What is the SMILES notation for 2-hexyl-5-methylpiperidine?
The canonical SMILES for 2-hexyl-5-methylpiperidine is CCCCCCC1CCC(C)CN1.
What is the InChIKey of 2-hexyl-5-methylpiperidine?
The InChIKey is CXQGQNOHWMKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-7-12-9-8-11(2)10-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-hexyl-5-methylpiperidine?
2-hexyl-5-methylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methylpiperidine is sourced from PubChem (CID 106778394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).