1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol

C28H30N2O — CID 57400177

IUPAC1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)CC(O)c3ccccc34)ccc21
InChIInChI=1S/C28H30N2O/c1-2-30-25-10-6-4-7-21(25)23-17-20(11-12-26(23)30)19-29-15-13-28(14-16-29)18-27(31)22-8-3-5-9-24(22)28/h3-12,17,27,31H,2,13-16,18-19H2,1H3
InChIKeyRGONDGBXSBUYKY-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.79
Rot. Bonds3

About 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol

1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol (PubChem CID 57400177) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol.

Molecular Properties

Compound Name1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
PubChem CID57400177
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)CC(O)c3ccccc34)ccc21
InChIInChI=1S/C28H30N2O/c1-2-30-25-10-6-4-7-21(25)23-17-20(11-12-26(23)30)19-29-15-13-28(14-16-29)18-27(31)22-8-3-5-9-24(22)28/h3-12,17,27,31H,2,13-16,18-19H2,1H3
InChIKeyRGONDGBXSBUYKY-UHFFFAOYSA-N
XLogP5.79
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol
CID 10048012
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
CID 72548879
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
8-[(9-ethylcarbazol-3-yl)methyl]-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222110
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617

Frequently Asked Questions

What is the IUPAC name of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol?
The IUPAC name of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol (CID 57400177) is 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol.
What is the SMILES notation for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol?
The canonical SMILES for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol is CCn1c2ccccc2c2cc(CN3CCC4(CC3)CC(O)c3ccccc34)ccc21.
What is the InChIKey of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol?
The InChIKey is RGONDGBXSBUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-2-30-25-10-6-4-7-21(25)23-17-20(11-12-26(23)30)19-29-15-13-28(14-16-29)18-27(31)22-8-3-5-9-24(22)28/h3-12,17,27,31H,2,13-16,18-19H2,1H3.
What are the key properties of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol?
1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol has a molecular weight of 410.56 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol is sourced from PubChem (CID 57400177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).