4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol

C18H27NO2 — CID 104969291

IUPAC4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESC[C@@H]1CCC[C@H](C)N1C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C18H27NO2/c1-12-6-5-7-13(2)19(12)16-11-18(3,4)21-17-10-14(20)8-9-15(16)17/h8-10,12-13,16,20H,5-7,11H2,1-4H3/t12-,13+,16?
InChIKeySUJVZMXANGTIAM-OCZCAGDBSA-N
MW289.42 g/mol
LogP4.26
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol (PubChem CID 104969291) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
PubChem CID104969291
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESC[C@@H]1CCC[C@H](C)N1C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C18H27NO2/c1-12-6-5-7-13(2)19(12)16-11-18(3,4)21-17-10-14(20)8-9-15(16)17/h8-10,12-13,16,20H,5-7,11H2,1-4H3/t12-,13+,16?
InChIKeySUJVZMXANGTIAM-OCZCAGDBSA-N
XLogP4.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
CID 82959521
4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 82958421
2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
CID 82957858
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]-3,4-dihydrochromen-7-ol
CID 82958270
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
CID 82965841
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
CID 11806168
2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
CID 63936445
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol (CID 104969291) is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol is C[C@@H]1CCC[C@H](C)N1C1CC(C)(C)Oc2cc(O)ccc21.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The InChIKey is SUJVZMXANGTIAM-OCZCAGDBSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-6-5-7-13(2)19(12)16-11-18(3,4)21-17-10-14(20)8-9-15(16)17/h8-10,12-13,16,20H,5-7,11H2,1-4H3/t12-,13+,16?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol?
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol has a molecular weight of 289.42 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 104969291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).