1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol

C16H23NO3 — CID 111113753

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-5-7-17(8-6-13)11-14-3-2-4-15-16(14)20-10-9-19-15/h2-4,12-13,18H,5-11H2,1H3
InChIKeyYXOUNXLSNIVWBM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol

1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol (PubChem CID 111113753) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
PubChem CID111113753
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-5-7-17(8-6-13)11-14-3-2-4-15-16(14)20-10-9-19-15/h2-4,12-13,18H,5-11H2,1H3
InChIKeyYXOUNXLSNIVWBM-UHFFFAOYSA-N
XLogP2.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol 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-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol
CID 56778731
1-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethanol
CID 103656892
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine
CID 52763520
5-[(1R)-1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95336493
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propan-1-ol
CID 93187642
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51128933
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51120604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol (CID 111113753) is 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol?
The InChIKey is YXOUNXLSNIVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)13-5-7-17(8-6-13)11-14-3-2-4-15-16(14)20-10-9-19-15/h2-4,12-13,18H,5-11H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol?
1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol has a molecular weight of 277.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 111113753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).