(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol

C15H21NO2 — CID 125042035

IUPAC(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol
SMILESCN1CCCC[C@@H]1[C@H]1CCc2c(O)cccc2O1
InChIInChI=1S/C15H21NO2/c1-16-10-3-2-5-12(16)15-9-8-11-13(17)6-4-7-14(11)18-15/h4,6-7,12,15,17H,2-3,5,8-10H2,1H3/t12-,15-/m1/s1
InChIKeySAFAEJVPQFBPCV-IUODEOHRSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds1

About (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol

(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol (PubChem CID 125042035) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol
PubChem CID125042035
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol
SMILESCN1CCCC[C@@H]1[C@H]1CCc2c(O)cccc2O1
InChIInChI=1S/C15H21NO2/c1-16-10-3-2-5-12(16)15-9-8-11-13(17)6-4-7-14(11)18-15/h4,6-7,12,15,17H,2-3,5,8-10H2,1H3/t12-,15-/m1/s1
InChIKeySAFAEJVPQFBPCV-IUODEOHRSA-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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Related Compounds

2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538
2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 117046561
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
CID 123982998
(4aS,10bR)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol;hydrobromide
CID 66634113
(2R)-2-pyridin-2-yl-3,4-dihydro-2H-chromen-5-ol
CID 129364109
(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol
CID 177479111
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
(3S,8R)-9-benzoyl-16-methyl-2-oxa-9,16-diazatricyclo[16.4.0.03,8]docosa-1(22),18,20-trien-17-one
CID 133079190
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol (CID 125042035) is (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol is CN1CCCC[C@@H]1[C@H]1CCc2c(O)cccc2O1.
What is the InChIKey of (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is SAFAEJVPQFBPCV-IUODEOHRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-10-3-2-5-12(16)15-9-8-11-13(17)6-4-7-14(11)18-15/h4,6-7,12,15,17H,2-3,5,8-10H2,1H3/t12-,15-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol?
(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-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-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 125042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).