5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole

C16H24N2O — CID 169244448

IUPAC5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
SMILESCOc1ccc2c(c1)C(C)(C1CCN(C)CC1)CN2
InChIInChI=1S/C16H24N2O/c1-16(12-6-8-18(2)9-7-12)11-17-15-5-4-13(19-3)10-14(15)16/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyGFWKXNNFAQYWTP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds2

About 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole

5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole (PubChem CID 169244448) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole.

Molecular Properties

Compound Name5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
PubChem CID169244448
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
SMILESCOc1ccc2c(c1)C(C)(C1CCN(C)CC1)CN2
InChIInChI=1S/C16H24N2O/c1-16(12-6-8-18(2)9-7-12)11-17-15-5-4-13(19-3)10-14(15)16/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyGFWKXNNFAQYWTP-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950918
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
CID 13059739
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620800
7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183
4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
CID 90123000
(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 22792255

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole?
The IUPAC name of 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole (CID 169244448) is 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole.
What is the SMILES notation for 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole?
The canonical SMILES for 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole is COc1ccc2c(c1)C(C)(C1CCN(C)CC1)CN2.
What is the InChIKey of 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole?
The InChIKey is GFWKXNNFAQYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(12-6-8-18(2)9-7-12)11-17-15-5-4-13(19-3)10-14(15)16/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole?
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole has a molecular weight of 260.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole is sourced from PubChem (CID 169244448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).