4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine

C20H33NO — CID 159374429

IUPAC4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine
SMILESCc1cc(C(C)(C)C)c(OC(C)C)cc1C1CCN(C)CC1
InChIInChI=1S/C20H33NO/c1-14(2)22-19-13-17(16-8-10-21(7)11-9-16)15(3)12-18(19)20(4,5)6/h12-14,16H,8-11H2,1-7H3
InChIKeyQMUIOXKPOBHQGN-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.89
Rot. Bonds3

About 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine

4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine (PubChem CID 159374429) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine
PubChem CID159374429
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine
SMILESCc1cc(C(C)(C)C)c(OC(C)C)cc1C1CCN(C)CC1
InChIInChI=1S/C20H33NO/c1-14(2)22-19-13-17(16-8-10-21(7)11-9-16)15(3)12-18(19)20(4,5)6/h12-14,16H,8-11H2,1-7H3
InChIKeyQMUIOXKPOBHQGN-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine?
The IUPAC name of 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine (CID 159374429) is 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine?
The canonical SMILES for 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine is Cc1cc(C(C)(C)C)c(OC(C)C)cc1C1CCN(C)CC1.
What is the InChIKey of 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine?
The InChIKey is QMUIOXKPOBHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-14(2)22-19-13-17(16-8-10-21(7)11-9-16)15(3)12-18(19)20(4,5)6/h12-14,16H,8-11H2,1-7H3.
What are the key properties of 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine?
4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine has a molecular weight of 303.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine is sourced from PubChem (CID 159374429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).