1-[6-(2,6-dimethylphenoxy)hexyl]piperidine

C19H31NO — CID 2304722

IUPAC1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
SMILESCc1cccc(C)c1OCCCCCCN1CCCCC1
InChIInChI=1S/C19H31NO/c1-17-11-10-12-18(2)19(17)21-16-9-4-3-6-13-20-14-7-5-8-15-20/h10-12H,3-9,13-16H2,1-2H3
InChIKeyAJDLUIFQPDZQKO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.73
Rot. Bonds8

About 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine

1-[6-(2,6-dimethylphenoxy)hexyl]piperidine (PubChem CID 2304722) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine.

Molecular Properties

Compound Name1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
PubChem CID2304722
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
SMILESCc1cccc(C)c1OCCCCCCN1CCCCC1
InChIInChI=1S/C19H31NO/c1-17-11-10-12-18(2)19(17)21-16-9-4-3-6-13-20-14-7-5-8-15-20/h10-12H,3-9,13-16H2,1-2H3
InChIKeyAJDLUIFQPDZQKO-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,3,6-trimethylphenoxy)butyl]piperidine
CID 2262772
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
4-[3-(2,6-dimethylphenoxy)propyl]-1,4-thiazepane 1,1-dioxide
CID 56789133
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531
1-[4-(2,3,6-trimethylphenoxy)butyl]aziridine
CID 125464384
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine?
The IUPAC name of 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine (CID 2304722) is 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine.
What is the SMILES notation for 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine?
The canonical SMILES for 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine is Cc1cccc(C)c1OCCCCCCN1CCCCC1.
What is the InChIKey of 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine?
The InChIKey is AJDLUIFQPDZQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-17-11-10-12-18(2)19(17)21-16-9-4-3-6-13-20-14-7-5-8-15-20/h10-12H,3-9,13-16H2,1-2H3.
What are the key properties of 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine?
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dimethylphenoxy)hexyl]piperidine is sourced from PubChem (CID 2304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).