3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol

C17H26N2O2 — CID 63240862

IUPAC3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)NCC1CCCN(C2COc3cc(O)ccc32)C1
InChIInChI=1S/C17H26N2O2/c1-12(2)18-9-13-4-3-7-19(10-13)16-11-21-17-8-14(20)5-6-15(16)17/h5-6,8,12-13,16,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyIXKRINCHNCNNQL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds4

About 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol

3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 63240862) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID63240862
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)NCC1CCCN(C2COc3cc(O)ccc32)C1
InChIInChI=1S/C17H26N2O2/c1-12(2)18-9-13-4-3-7-19(10-13)16-11-21-17-8-14(20)5-6-15(16)17/h5-6,8,12-13,16,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyIXKRINCHNCNNQL-UHFFFAOYSA-N
XLogP2.54
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974
4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
CID 104973669

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol (CID 63240862) is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol is CC(C)NCC1CCCN(C2COc3cc(O)ccc32)C1.
What is the InChIKey of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is IXKRINCHNCNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)18-9-13-4-3-7-19(10-13)16-11-21-17-8-14(20)5-6-15(16)17/h5-6,8,12-13,16,18,20H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol?
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 290.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 63240862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).