1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine

C30H42N2O3 — CID 21419643

IUPAC1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine
SMILESCC(CCOc1ccc2oc3c(OCCC(C)N4CCCCC4)cccc3c2c1)N1CCCCC1
InChIInChI=1S/C30H42N2O3/c1-23(31-16-5-3-6-17-31)14-20-33-25-12-13-28-27(22-25)26-10-9-11-29(30(26)35-28)34-21-15-24(2)32-18-7-4-8-19-32/h9-13,22-24H,3-8,14-21H2,1-2H3
InChIKeyDNTXLMHDKZHGTD-UHFFFAOYSA-N
MW478.68 g/mol
LogP6.87
Rot. Bonds10

About 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine

1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine (PubChem CID 21419643) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine.

Molecular Properties

Compound Name1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine
PubChem CID21419643
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC Name1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine
SMILESCC(CCOc1ccc2oc3c(OCCC(C)N4CCCCC4)cccc3c2c1)N1CCCCC1
InChIInChI=1S/C30H42N2O3/c1-23(31-16-5-3-6-17-31)14-20-33-25-12-13-28-27(22-25)26-10-9-11-29(30(26)35-28)34-21-15-24(2)32-18-7-4-8-19-32/h9-13,22-24H,3-8,14-21H2,1-2H3
InChIKeyDNTXLMHDKZHGTD-UHFFFAOYSA-N
XLogP6.87
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine?
The IUPAC name of 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine (CID 21419643) is 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine.
What is the SMILES notation for 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine?
The canonical SMILES for 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine is CC(CCOc1ccc2oc3c(OCCC(C)N4CCCCC4)cccc3c2c1)N1CCCCC1.
What is the InChIKey of 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine?
The InChIKey is DNTXLMHDKZHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-23(31-16-5-3-6-17-31)14-20-33-25-12-13-28-27(22-25)26-10-9-11-29(30(26)35-28)34-21-15-24(2)32-18-7-4-8-19-32/h9-13,22-24H,3-8,14-21H2,1-2H3.
What are the key properties of 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine?
1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine has a molecular weight of 478.68 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-piperidin-1-ylbutoxy)dibenzofuran-2-yl]oxybutan-2-yl]piperidine is sourced from PubChem (CID 21419643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).