(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol

C15H21NO2 — CID 10220538

IUPAC(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
SMILESCN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1
InChIInChI=1S/C15H21NO2/c1-16-9-3-2-4-13(16)15-7-5-11-10-12(17)6-8-14(11)18-15/h6,8,10,13,15,17H,2-5,7,9H2,1H3/t13-,15+/m0/s1
InChIKeyOYMKMVHQLKXIBG-DZGCQCFKSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds1

About (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol

(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 10220538) 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-6-ol.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
PubChem CID10220538
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
SMILESCN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1
InChIInChI=1S/C15H21NO2/c1-16-9-3-2-4-13(16)15-7-5-11-10-12(17)6-8-14(11)18-15/h6,8,10,13,15,17H,2-5,7,9H2,1H3/t13-,15+/m0/s1
InChIKeyOYMKMVHQLKXIBG-DZGCQCFKSA-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-6-ol?
The IUPAC name of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol (CID 10220538) is (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol is CN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1.
What is the InChIKey of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is OYMKMVHQLKXIBG-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-9-3-2-4-13(16)15-7-5-11-10-12(17)6-8-14(11)18-15/h6,8,10,13,15,17H,2-5,7,9H2,1H3/t13-,15+/m0/s1.
What are the key properties of (2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol?
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-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-6-ol is sourced from PubChem (CID 10220538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).