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

C28H30N2O2 — CID 57400179

IUPAC(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](O)[C@H]4O)ccc21
InChIInChI=1S/C28H30N2O2/c1-2-30-24-10-6-4-7-20(24)22-17-19(11-12-25(22)30)18-29-15-13-28(14-16-29)23-9-5-3-8-21(23)26(31)27(28)32/h3-12,17,26-27,31-32H,2,13-16,18H2,1H3/t26-,27+/m0/s1
InChIKeyARCLLIFCIKHDHP-RRPNLBNLSA-N
MW426.56 g/mol
LogP4.76
Rot. Bonds3

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

(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol (PubChem CID 57400179) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
PubChem CID57400179
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
SMILESCCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](O)[C@H]4O)ccc21
InChIInChI=1S/C28H30N2O2/c1-2-30-24-10-6-4-7-20(24)22-17-19(11-12-25(22)30)18-29-15-13-28(14-16-29)23-9-5-3-8-21(23)26(31)27(28)32/h3-12,17,26-27,31-32H,2,13-16,18H2,1H3/t26-,27+/m0/s1
InChIKeyARCLLIFCIKHDHP-RRPNLBNLSA-N
XLogP4.76
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol?
The IUPAC name of (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol (CID 57400179) is (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol.
What is the SMILES notation for (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol?
The canonical SMILES for (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol is CCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](O)[C@H]4O)ccc21.
What is the InChIKey of (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol?
The InChIKey is ARCLLIFCIKHDHP-RRPNLBNLSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-2-30-24-10-6-4-7-20(24)22-17-19(11-12-25(22)30)18-29-15-13-28(14-16-29)23-9-5-3-8-21(23)26(31)27(28)32/h3-12,17,26-27,31-32H,2,13-16,18H2,1H3/t26-,27+/m0/s1.
What are the key properties of (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol?
(1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol has a molecular weight of 426.56 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol is sourced from PubChem (CID 57400179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).