1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine

C18H27NO — CID 67468831

IUPAC1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine
SMILESCC1(C2CCN(C(C)(C)C)CC2)Cc2ccccc2O1
InChIInChI=1S/C18H27NO/c1-17(2,3)19-11-9-15(10-12-19)18(4)13-14-7-5-6-8-16(14)20-18/h5-8,15H,9-13H2,1-4H3
InChIKeyKHBDEHRNECZHRH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.89
Rot. Bonds1

About 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine

1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine (PubChem CID 67468831) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine
PubChem CID67468831
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine
SMILESCC1(C2CCN(C(C)(C)C)CC2)Cc2ccccc2O1
InChIInChI=1S/C18H27NO/c1-17(2,3)19-11-9-15(10-12-19)18(4)13-14-7-5-6-8-16(14)20-18/h5-8,15H,9-13H2,1-4H3
InChIKeyKHBDEHRNECZHRH-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine (CID 67468831) is 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine is CC1(C2CCN(C(C)(C)C)CC2)Cc2ccccc2O1.
What is the InChIKey of 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine?
The InChIKey is KHBDEHRNECZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)19-11-9-15(10-12-19)18(4)13-14-7-5-6-8-16(14)20-18/h5-8,15H,9-13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine?
1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methyl-3H-1-benzofuran-2-yl)piperidine is sourced from PubChem (CID 67468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).