3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

C17H26N2O2 — CID 43748390

IUPAC3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCCN1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-8-19-9-6-13(7-10-19)18-16-12-21-17-11-14(20)4-5-15(16)17/h4-5,11,13,16,18,20H,2-3,6-10,12H2,1H3
InChIKeyJPDIQQGBQJRBNY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds5

About 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43748390) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43748390
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCCN1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-8-19-9-6-13(7-10-19)18-16-12-21-17-11-14(20)4-5-15(16)17/h4-5,11,13,16,18,20H,2-3,6-10,12H2,1H3
InChIKeyJPDIQQGBQJRBNY-UHFFFAOYSA-N
XLogP2.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol with MolForge

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Related Compounds

3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43206706
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60923578
1-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107681901
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
CID 43748903
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 114544160
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43205194
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 43748390) is 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is CCCCN1CCC(NC2COc3cc(O)ccc32)CC1.
What is the InChIKey of 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is JPDIQQGBQJRBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-8-19-9-6-13(7-10-19)18-16-12-21-17-11-14(20)4-5-15(16)17/h4-5,11,13,16,18,20H,2-3,6-10,12H2,1H3.
What are the key properties of 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 290.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43748390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).