4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine

C20H33NO — CID 176934813

IUPAC4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
SMILESCOc1cc(C2CCN(CCC(C)C)CC2)ccc1C(C)C
InChIInChI=1S/C20H33NO/c1-15(2)8-11-21-12-9-17(10-13-21)18-6-7-19(16(3)4)20(14-18)22-5/h6-7,14-17H,8-13H2,1-5H3
InChIKeyKVIWYAGRFUTBFK-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.04
Rot. Bonds6

About 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine

4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine (PubChem CID 176934813) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
PubChem CID176934813
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
SMILESCOc1cc(C2CCN(CCC(C)C)CC2)ccc1C(C)C
InChIInChI=1S/C20H33NO/c1-15(2)8-11-21-12-9-17(10-13-21)18-6-7-19(16(3)4)20(14-18)22-5/h6-7,14-17H,8-13H2,1-5H3
InChIKeyKVIWYAGRFUTBFK-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine?
The IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine (CID 176934813) is 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine is COc1cc(C2CCN(CCC(C)C)CC2)ccc1C(C)C.
What is the InChIKey of 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine?
The InChIKey is KVIWYAGRFUTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-15(2)8-11-21-12-9-17(10-13-21)18-6-7-19(16(3)4)20(14-18)22-5/h6-7,14-17H,8-13H2,1-5H3.
What are the key properties of 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine?
4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine has a molecular weight of 303.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 176934813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).