2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine

C23H33NO3 — CID 175769763

IUPAC2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCC(CN2CCCCC2C(C)Oc2ccc3cocc3c2)CC1
InChIInChI=1S/C23H33NO3/c1-17(27-22-11-8-19-15-26-16-20(19)13-22)23-5-3-4-12-24(23)14-18-6-9-21(25-2)10-7-18/h8,11,13,15-18,21,23H,3-7,9-10,12,14H2,1-2H3
InChIKeyILURZMXPBQLGGY-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.26
Rot. Bonds6

About 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine

2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine (PubChem CID 175769763) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine.

Molecular Properties

Compound Name2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine
PubChem CID175769763
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCC(CN2CCCCC2C(C)Oc2ccc3cocc3c2)CC1
InChIInChI=1S/C23H33NO3/c1-17(27-22-11-8-19-15-26-16-20(19)13-22)23-5-3-4-12-24(23)14-18-6-9-21(25-2)10-7-18/h8,11,13,15-18,21,23H,3-7,9-10,12,14H2,1-2H3
InChIKeyILURZMXPBQLGGY-UHFFFAOYSA-N
XLogP5.26
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine?
The IUPAC name of 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine (CID 175769763) is 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine.
What is the SMILES notation for 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine?
The canonical SMILES for 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine is COC1CCC(CN2CCCCC2C(C)Oc2ccc3cocc3c2)CC1.
What is the InChIKey of 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine?
The InChIKey is ILURZMXPBQLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-17(27-22-11-8-19-15-26-16-20(19)13-22)23-5-3-4-12-24(23)14-18-6-9-21(25-2)10-7-18/h8,11,13,15-18,21,23H,3-7,9-10,12,14H2,1-2H3.
What are the key properties of 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine?
2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine has a molecular weight of 371.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine is sourced from PubChem (CID 175769763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).