(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol

C15H20BrNO2 — CID 40544126

IUPAC(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol
SMILESC[C@@]1(N2CCCCC2)COc2ccc(Br)cc2[C@H]1O
InChIInChI=1S/C15H20BrNO2/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18/h5-6,9,14,18H,2-4,7-8,10H2,1H3/t14-,15-/m1/s1
InChIKeyNLDQZKXOEPFGRX-HUUCEWRRSA-N
MW326.23 g/mol
LogP3.12
Rot. Bonds1

About (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol

(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol (PubChem CID 40544126) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol
PubChem CID40544126
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol
SMILESC[C@@]1(N2CCCCC2)COc2ccc(Br)cc2[C@H]1O
InChIInChI=1S/C15H20BrNO2/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18/h5-6,9,14,18H,2-4,7-8,10H2,1H3/t14-,15-/m1/s1
InChIKeyNLDQZKXOEPFGRX-HUUCEWRRSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3,3-dimethyl-2H-chromen-4-one;7-bromo-3,3-dimethyl-2,4-dihydrochromen-4-ol
CID 157120222
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CID 44537693
[(3S,4R)-6-bromo-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-yl] acetate
CID 101088724
(1S,2R)-5,21-dibromo-9,17-dioxa-11,15-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-3(8),4,6,18(23),19,21-hexaene-10,16-dione
CID 56599900
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 15634796
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
CID 44537692
7-bromo-3-(hydroxymethyl)-3-methyl-2H-chromen-4-one
CID 165178364
(NE)-N-[1-[(3S)-5-bromo-2,3-dihydro-1-benzofuran-3-yl]ethylidene]hydroxylamine
CID 98288279
4-bromo-10-methyl-8-oxa-12-thia-16-selena-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-15-one
CID 3662162
(2R)-1-(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 120537417

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol?
The IUPAC name of (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol (CID 40544126) is (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol.
What is the SMILES notation for (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol?
The canonical SMILES for (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol is C[C@@]1(N2CCCCC2)COc2ccc(Br)cc2[C@H]1O.
What is the InChIKey of (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol?
The InChIKey is NLDQZKXOEPFGRX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18/h5-6,9,14,18H,2-4,7-8,10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol?
(3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol has a molecular weight of 326.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6-bromo-3-methyl-3-piperidin-1-yl-2,4-dihydrochromen-4-ol is sourced from PubChem (CID 40544126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).