(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol

C16H23NO3 — CID 95354319

IUPAC(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-12(18)14-4-2-3-7-17(14)11-13-5-6-15-16(10-13)20-9-8-19-15/h5-6,10,12,14,18H,2-4,7-9,11H2,1H3/t12-,14-/m1/s1
InChIKeyXLAZYDKDSZKNLV-TZMCWYRMSA-N
MW277.36 g/mol
LogP2.19
Rot. Bonds3

About (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol

(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol (PubChem CID 95354319) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
PubChem CID95354319
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-12(18)14-4-2-3-7-17(14)11-13-5-6-15-16(10-13)20-9-8-19-15/h5-6,10,12,14,18H,2-4,7-9,11H2,1H3/t12-,14-/m1/s1
InChIKeyXLAZYDKDSZKNLV-TZMCWYRMSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol with MolForge

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Related Compounds

1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
CID 141293787
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383581
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
(2S)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129489011

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol (CID 95354319) is (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol is C[C@@H](O)[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol?
The InChIKey is XLAZYDKDSZKNLV-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)14-4-2-3-7-17(14)11-13-5-6-15-16(10-13)20-9-8-19-15/h5-6,10,12,14,18H,2-4,7-9,11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol?
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol has a molecular weight of 277.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 95354319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).