2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile

C24H28N4O — CID 30937418

IUPAC2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C24H28N4O/c25-17-18-5-1-4-8-21(18)27-13-15-28(16-14-27)22-19-6-2-3-7-20(19)24(23(22)29)9-11-26-12-10-24/h1-8,22-23,26,29H,9-16H2/t22-,23+/m1/s1
InChIKeyJILBOGCFGBHYHX-PKTZIBPZSA-N
MW388.52 g/mol
LogP2.42
Rot. Bonds2

About 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile

2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile (PubChem CID 30937418) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
PubChem CID30937418
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C24H28N4O/c25-17-18-5-1-4-8-21(18)27-13-15-28(16-14-27)22-19-6-2-3-7-20(19)24(23(22)29)9-11-26-12-10-24/h1-8,22-23,26,29H,9-16H2/t22-,23+/m1/s1
InChIKeyJILBOGCFGBHYHX-PKTZIBPZSA-N
XLogP2.42
TPSA62.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile (CID 30937418) is 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1.
What is the InChIKey of 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile?
The InChIKey is JILBOGCFGBHYHX-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H28N4O/c25-17-18-5-1-4-8-21(18)27-13-15-28(16-14-27)22-19-6-2-3-7-20(19)24(23(22)29)9-11-26-12-10-24/h1-8,22-23,26,29H,9-16H2/t22-,23+/m1/s1.
What are the key properties of 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile?
2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile has a molecular weight of 388.52 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 30937418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).