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

C25H30N2O3 — CID 51501874

IUPAC(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c2ccccc21
InChIInChI=1S/C25H30N2O3/c1-2-27-16-20(18-7-3-5-9-21(18)27)23(29)17-26-13-11-25(12-14-26)15-22(28)19-8-4-6-10-24(19)30-25/h3-10,16,22-23,28-29H,2,11-15,17H2,1H3/t22-,23+/m1/s1
InChIKeyVNPLEWQRMDTNRK-PKTZIBPZSA-N
MW406.53 g/mol
LogP4.05
Rot. Bonds4

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

(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 51501874) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID51501874
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESCCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c2ccccc21
InChIInChI=1S/C25H30N2O3/c1-2-27-16-20(18-7-3-5-9-21(18)27)23(29)17-26-13-11-25(12-14-26)15-22(28)19-8-4-6-10-24(19)30-25/h3-10,16,22-23,28-29H,2,11-15,17H2,1H3/t22-,23+/m1/s1
InChIKeyVNPLEWQRMDTNRK-PKTZIBPZSA-N
XLogP4.05
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 51501874) is (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c2ccccc21.
What is the InChIKey of (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is VNPLEWQRMDTNRK-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-27-16-20(18-7-3-5-9-21(18)27)23(29)17-26-13-11-25(12-14-26)15-22(28)19-8-4-6-10-24(19)30-25/h3-10,16,22-23,28-29H,2,11-15,17H2,1H3/t22-,23+/m1/s1.
What are the key properties of (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 406.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 51501874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).