4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine

C19H27NO2 — CID 117485706

IUPAC4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
SMILESCc1c2c(c(CC3CCNCC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C19H27NO2/c1-11-8-15-13(3)18-16(9-12(2)21-18)17(19(15)22-11)10-14-4-6-20-7-5-14/h11-12,14,20H,4-10H2,1-3H3
InChIKeyCVHPTKGOXHNWEJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.18
Rot. Bonds2

About 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine

4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine (PubChem CID 117485706) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
PubChem CID117485706
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
SMILESCc1c2c(c(CC3CCNCC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C19H27NO2/c1-11-8-15-13(3)18-16(9-12(2)21-18)17(19(15)22-11)10-14-4-6-20-7-5-14/h11-12,14,20H,4-10H2,1-3H3
InChIKeyCVHPTKGOXHNWEJ-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine?
The IUPAC name of 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine (CID 117485706) is 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine is Cc1c2c(c(CC3CCNCC3)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine?
The InChIKey is CVHPTKGOXHNWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-11-8-15-13(3)18-16(9-12(2)21-18)17(19(15)22-11)10-14-4-6-20-7-5-14/h11-12,14,20H,4-10H2,1-3H3.
What are the key properties of 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine?
4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine has a molecular weight of 301.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine is sourced from PubChem (CID 117485706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).