3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol

C19H26N2O2 — CID 70831939

IUPAC3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol
SMILESOc1ccc2c(CN3CCC(N4CCCCC4)CC3)coc2c1
InChIInChI=1S/C19H26N2O2/c22-17-4-5-18-15(14-23-19(18)12-17)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,14,16,22H,1-3,6-11,13H2
InChIKeyVMUIILLXWDNFDN-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.59
Rot. Bonds3

About 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol

3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol (PubChem CID 70831939) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol
PubChem CID70831939
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol
SMILESOc1ccc2c(CN3CCC(N4CCCCC4)CC3)coc2c1
InChIInChI=1S/C19H26N2O2/c22-17-4-5-18-15(14-23-19(18)12-17)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,14,16,22H,1-3,6-11,13H2
InChIKeyVMUIILLXWDNFDN-UHFFFAOYSA-N
XLogP3.59
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol
CID 82957019
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
CID 11978440
4-bromo-3-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 82979839
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
CID 61216485
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine
CID 59577527
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887216
3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
CID 22459006
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807227

Frequently Asked Questions

What is the IUPAC name of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol?
The IUPAC name of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol (CID 70831939) is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol?
The canonical SMILES for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol is Oc1ccc2c(CN3CCC(N4CCCCC4)CC3)coc2c1.
What is the InChIKey of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol?
The InChIKey is VMUIILLXWDNFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-17-4-5-18-15(14-23-19(18)12-17)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,14,16,22H,1-3,6-11,13H2.
What are the key properties of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol?
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol has a molecular weight of 314.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol is sourced from PubChem (CID 70831939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).