8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane

C20H29NO2 — CID 91459628

IUPAC8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane
SMILESCC.Cc1oc2c(C3CCN(C)CC3C)cccc2c(=O)c1C
InChIInChI=1S/C18H23NO2.C2H6/c1-11-10-19(4)9-8-14(11)15-6-5-7-16-17(20)12(2)13(3)21-18(15)16;1-2/h5-7,11,14H,8-10H2,1-4H3;1-2H3
InChIKeyBYVVDVVYXIRUHV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.49
Rot. Bonds1

About 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane

8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane (PubChem CID 91459628) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane.

Molecular Properties

Compound Name8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane
PubChem CID91459628
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane
SMILESCC.Cc1oc2c(C3CCN(C)CC3C)cccc2c(=O)c1C
InChIInChI=1S/C18H23NO2.C2H6/c1-11-10-19(4)9-8-14(11)15-6-5-7-16-17(20)12(2)13(3)21-18(15)16;1-2/h5-7,11,14H,8-10H2,1-4H3;1-2H3
InChIKeyBYVVDVVYXIRUHV-UHFFFAOYSA-N
XLogP4.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane with MolForge

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Related Compounds

4-(2,3-dimethyl-1-benzofuran-7-yl)-1-methylpiperidine
CID 23468890
3,4-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-2-one
CID 141397653
4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione
CID 23468822
4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine
CID 23468855
2,7-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 18361946
methyl (3R,4S)-1-methyl-4-(2-methylphenyl)piperidine-3-carboxylate
CID 143099801
ethane;1,3,4-trimethylpiperidine
CID 142222872
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419
(2S,7R)-5,11-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-8-one
CID 53306993
(2S,7S)-4,11-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-8-one
CID 53306994
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane?
The IUPAC name of 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane (CID 91459628) is 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane.
What is the SMILES notation for 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane?
The canonical SMILES for 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane is CC.Cc1oc2c(C3CCN(C)CC3C)cccc2c(=O)c1C.
What is the InChIKey of 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane?
The InChIKey is BYVVDVVYXIRUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H6/c1-11-10-19(4)9-8-14(11)15-6-5-7-16-17(20)12(2)13(3)21-18(15)16;1-2/h5-7,11,14H,8-10H2,1-4H3;1-2H3.
What are the key properties of 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane?
8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane has a molecular weight of 315.46 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpiperidin-4-yl)-2,3-dimethylchromen-4-one;ethane is sourced from PubChem (CID 91459628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).