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

C19H31NO — CID 11964510

IUPAC1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-19(2,3)17-9-11-18(12-10-17)21-16-8-15-20-13-6-5-7-14-20/h9-12H,4-8,13-16H2,1-3H3
InChIKeyLAKVEWGOEMZVEF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds7

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

1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine (PubChem CID 11964510) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
PubChem CID11964510
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
SMILESCCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-19(2,3)17-9-11-18(12-10-17)21-16-8-15-20-13-6-5-7-14-20/h9-12H,4-8,13-16H2,1-3H3
InChIKeyLAKVEWGOEMZVEF-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine (CID 11964510) is 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine is CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
The InChIKey is LAKVEWGOEMZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-19(2,3)17-9-11-18(12-10-17)21-16-8-15-20-13-6-5-7-14-20/h9-12H,4-8,13-16H2,1-3H3.
What are the key properties of 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine?
1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine is sourced from PubChem (CID 11964510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).