2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine

C21H35NO — CID 155520534

IUPAC2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
InChIInChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3
InChIKeyHVBQQFJIXGEUPB-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.41
Rot. Bonds7

About 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine

2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine (PubChem CID 155520534) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
PubChem CID155520534
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
InChIInChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3
InChIKeyHVBQQFJIXGEUPB-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.41
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-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
3-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propoxy]benzaldehyde
CID 99991988
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
CID 2182202
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
CID 89114083
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The IUPAC name of 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine (CID 155520534) is 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine.
What is the SMILES notation for 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The canonical SMILES for 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine is CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1.
What is the InChIKey of 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The InChIKey is HVBQQFJIXGEUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3.
What are the key properties of 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine has a molecular weight of 317.52 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine is sourced from PubChem (CID 155520534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).