1-hexyl-2,6-dimethylpiperidine

C13H27N — CID 6428887

IUPAC1-hexyl-2,6-dimethylpiperidine
SMILESCCCCCCN1C(C)CCCC1C
InChIInChI=1S/C13H27N/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12-13H,4-11H2,1-3H3
InChIKeyZBHRMBBPOGDWJG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds5

About 1-hexyl-2,6-dimethylpiperidine

1-hexyl-2,6-dimethylpiperidine (PubChem CID 6428887) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-hexyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-hexyl-2,6-dimethylpiperidine
PubChem CID6428887
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-hexyl-2,6-dimethylpiperidine
SMILESCCCCCCN1C(C)CCCC1C
InChIInChI=1S/C13H27N/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12-13H,4-11H2,1-3H3
InChIKeyZBHRMBBPOGDWJG-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
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

(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
8-heptyl-8-azabicyclo[3.2.1]octane
CID 138507431
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
2,6-dimethyl-1-pent-4-ynylpiperidine
CID 115873069
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
1-heptyl-2-methylaziridine
CID 142378837
2-methyl-1-pentylazepane
CID 134994557
2,6-dimethyl-1-(2-methylundecan-2-yl)piperidine
CID 150070854

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,6-dimethylpiperidine?
The IUPAC name of 1-hexyl-2,6-dimethylpiperidine (CID 6428887) is 1-hexyl-2,6-dimethylpiperidine.
What is the SMILES notation for 1-hexyl-2,6-dimethylpiperidine?
The canonical SMILES for 1-hexyl-2,6-dimethylpiperidine is CCCCCCN1C(C)CCCC1C.
What is the InChIKey of 1-hexyl-2,6-dimethylpiperidine?
The InChIKey is ZBHRMBBPOGDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-hexyl-2,6-dimethylpiperidine?
1-hexyl-2,6-dimethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,6-dimethylpiperidine is sourced from PubChem (CID 6428887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).