1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C26H32N2O3 — CID 16673676

IUPAC1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCn1cc(C(O)CN2CCC3(CC2)CC(O)c2cc(C)ccc2O3)c2ccccc21
InChIInChI=1S/C26H32N2O3/c1-3-28-16-21(19-6-4-5-7-22(19)28)24(30)17-27-12-10-26(11-13-27)15-23(29)20-14-18(2)8-9-25(20)31-26/h4-9,14,16,23-24,29-30H,3,10-13,15,17H2,1-2H3
InChIKeyLLNNRNHIOAMFEN-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.35
Rot. Bonds4

About 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 16673676) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID16673676
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCn1cc(C(O)CN2CCC3(CC2)CC(O)c2cc(C)ccc2O3)c2ccccc21
InChIInChI=1S/C26H32N2O3/c1-3-28-16-21(19-6-4-5-7-22(19)28)24(30)17-27-12-10-26(11-13-27)15-23(29)20-14-18(2)8-9-25(20)31-26/h4-9,14,16,23-24,29-30H,3,10-13,15,17H2,1-2H3
InChIKeyLLNNRNHIOAMFEN-UHFFFAOYSA-N
XLogP4.35
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol with MolForge

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Related Compounds

6-chloro-1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955195
(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501874
(4S)-1'-[(2S)-2-hydroxy-2-phenylethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501934
6-chloro-1'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955182
1'-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16677569
(4S)-1'-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502094
(4R)-1'-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502250
(4S)-1'-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502176
(4S)-1'-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503752
(4R)-1'-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501848
1'-(2-hydroxy-2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4,6-diol
CID 46966057
1'-(2-hydroxy-2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16677629

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 16673676) is 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CCn1cc(C(O)CN2CCC3(CC2)CC(O)c2cc(C)ccc2O3)c2ccccc21.
What is the InChIKey of 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is LLNNRNHIOAMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-3-28-16-21(19-6-4-5-7-22(19)28)24(30)17-27-12-10-26(11-13-27)15-23(29)20-14-18(2)8-9-25(20)31-26/h4-9,14,16,23-24,29-30H,3,10-13,15,17H2,1-2H3.
What are the key properties of 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 420.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 16673676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).