3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol

C16H24N2O2 — CID 43749158

IUPAC3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(CN1CCCCC1)NC1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-12(10-18-7-3-2-4-8-18)17-15-11-20-16-9-13(19)5-6-14(15)16/h5-6,9,12,15,17,19H,2-4,7-8,10-11H2,1H3
InChIKeyCELGPEIPRZOXQT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds4

About 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43749158) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43749158
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(CN1CCCCC1)NC1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-12(10-18-7-3-2-4-8-18)17-15-11-20-16-9-13(19)5-6-14(15)16/h5-6,9,12,15,17,19H,2-4,7-8,10-11H2,1H3
InChIKeyCELGPEIPRZOXQT-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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Related Compounds

2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257
3-(1-methylsulfonylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64630825
3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43693108
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
3-[1-(5-methylthiophen-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61473460
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60923578
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 43749158) is 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol is CC(CN1CCCCC1)NC1COc2cc(O)ccc21.
What is the InChIKey of 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is CELGPEIPRZOXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(10-18-7-3-2-4-8-18)17-15-11-20-16-9-13(19)5-6-14(15)16/h5-6,9,12,15,17,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(1-piperidin-1-ylpropan-2-ylamino)-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-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43749158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).