1-hexyl-4,4-dimethylpiperidine

C13H27N — CID 18722930

IUPAC1-hexyl-4,4-dimethylpiperidine
SMILESCCCCCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-7-10-14-11-8-13(2,3)9-12-14/h4-12H2,1-3H3
InChIKeyLSPSLSXOJFHIEL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds5

About 1-hexyl-4,4-dimethylpiperidine

1-hexyl-4,4-dimethylpiperidine (PubChem CID 18722930) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-hexyl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-hexyl-4,4-dimethylpiperidine
PubChem CID18722930
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-hexyl-4,4-dimethylpiperidine
SMILESCCCCCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-7-10-14-11-8-13(2,3)9-12-14/h4-12H2,1-3H3
InChIKeyLSPSLSXOJFHIEL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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

4,4-dimethyl-1-pentylazepane
CID 18723213
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4,4-difluoro-1-heptylpiperidine
CID 138507375
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
3,5,5-trimethyl-1-octylazepane
CID 20533819
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
1-heptylazetidine
CID 134402356
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
(4-nonylpiperazin-1-yl)methanol
CID 574800

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4,4-dimethylpiperidine?
The IUPAC name of 1-hexyl-4,4-dimethylpiperidine (CID 18722930) is 1-hexyl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-hexyl-4,4-dimethylpiperidine?
The canonical SMILES for 1-hexyl-4,4-dimethylpiperidine is CCCCCCN1CCC(C)(C)CC1.
What is the InChIKey of 1-hexyl-4,4-dimethylpiperidine?
The InChIKey is LSPSLSXOJFHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-10-14-11-8-13(2,3)9-12-14/h4-12H2,1-3H3.
What are the key properties of 1-hexyl-4,4-dimethylpiperidine?
1-hexyl-4,4-dimethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4,4-dimethylpiperidine is sourced from PubChem (CID 18722930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).