(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol

C18H28N2O2 — CID 95274066

IUPAC(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CNCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O2/c1-14(21)13-20-7-4-15(5-8-20)11-19-12-16-2-3-18-17(10-16)6-9-22-18/h2-3,10,14-15,19,21H,4-9,11-13H2,1H3/t14-/m0/s1
InChIKeyAPUYXTQXXHNPLZ-AWEZNQCLSA-N
MW304.43 g/mol
LogP1.80
Rot. Bonds6

About (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95274066) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID95274066
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CNCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O2/c1-14(21)13-20-7-4-15(5-8-20)11-19-12-16-2-3-18-17(10-16)6-9-22-18/h2-3,10,14-15,19,21H,4-9,11-13H2,1H3/t14-/m0/s1
InChIKeyAPUYXTQXXHNPLZ-AWEZNQCLSA-N
XLogP1.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 65429731
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
(2S)-1-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95275018
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43804204
3-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl]-1-methylurea
CID 97213115
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol (CID 95274066) is (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(CNCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is APUYXTQXXHNPLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(21)13-20-7-4-15(5-8-20)11-19-12-16-2-3-18-17(10-16)6-9-22-18/h2-3,10,14-15,19,21H,4-9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95274066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).