(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol

C15H21NO2 — CID 10131129

IUPAC(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol
SMILESCN1CCCC[C@H]1[C@H]1CCc2cccc(O)c2O1
InChIInChI=1S/C15H21NO2/c1-16-10-3-2-6-12(16)14-9-8-11-5-4-7-13(17)15(11)18-14/h4-5,7,12,14,17H,2-3,6,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyJCNVDCJZLABBNW-GXTWGEPZSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds1

About (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol

(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol (PubChem CID 10131129) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol
PubChem CID10131129
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol
SMILESCN1CCCC[C@H]1[C@H]1CCc2cccc(O)c2O1
InChIInChI=1S/C15H21NO2/c1-16-10-3-2-6-12(16)14-9-8-11-5-4-7-13(17)15(11)18-14/h4-5,7,12,14,17H,2-3,6,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyJCNVDCJZLABBNW-GXTWGEPZSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol (CID 10131129) is (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol is CN1CCCC[C@H]1[C@H]1CCc2cccc(O)c2O1.
What is the InChIKey of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is JCNVDCJZLABBNW-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-10-3-2-6-12(16)14-9-8-11-5-4-7-13(17)15(11)18-14/h4-5,7,12,14,17H,2-3,6,8-10H2,1H3/t12-,14+/m0/s1.
What are the key properties of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol?
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 247.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 10131129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).