1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol

C14H19NO3 — CID 60643705

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C14H19NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,11-12,16H,5-10H2
InChIKeyMKCGRRDPNMPJCL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol (PubChem CID 60643705) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
PubChem CID60643705
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C14H19NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,11-12,16H,5-10H2
InChIKeyMKCGRRDPNMPJCL-UHFFFAOYSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-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

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylamino]ethanol
CID 123316472
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
(4-chlorophenyl)-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methanone
CID 92967979
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 124757868
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 21241617
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 55170009
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol (CID 60643705) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol is OC1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The InChIKey is MKCGRRDPNMPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,11-12,16H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol has a molecular weight of 249.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 60643705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).