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

C16H24N2O2 — CID 43206706

IUPAC3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCN1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C16H24N2O2/c1-2-7-18-8-5-12(6-9-18)17-15-11-20-16-10-13(19)3-4-14(15)16/h3-4,10,12,15,17,19H,2,5-9,11H2,1H3
InChIKeyQQKBIQCFOCADSD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds4

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

3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43206706) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43206706
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCN1CCC(NC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C16H24N2O2/c1-2-7-18-8-5-12(6-9-18)17-15-11-20-16-10-13(19)3-4-14(15)16/h3-4,10,12,15,17,19H,2,5-9,11H2,1H3
InChIKeyQQKBIQCFOCADSD-UHFFFAOYSA-N
XLogP2.29
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 43206706) is 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is CCCN1CCC(NC2COc3cc(O)ccc32)CC1.
What is the InChIKey of 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QQKBIQCFOCADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-7-18-8-5-12(6-9-18)17-15-11-20-16-10-13(19)3-4-14(15)16/h3-4,10,12,15,17,19H,2,5-9,11H2,1H3.
What are the key properties of 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 276.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43206706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).