(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C19H24N4O — CID 31004078

IUPAC(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(Cc1cnccn1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C19H24N4O/c1-23(13-14-12-21-10-11-22-14)17-15-4-2-3-5-16(15)19(18(17)24)6-8-20-9-7-19/h2-5,10-12,17-18,20,24H,6-9,13H2,1H3/t17-,18+/m1/s1
InChIKeySPOXLZRJIVOTJZ-MSOLQXFVSA-N
MW324.43 g/mol
LogP1.65
Rot. Bonds3

About (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31004078) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31004078
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(Cc1cnccn1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C19H24N4O/c1-23(13-14-12-21-10-11-22-14)17-15-4-2-3-5-16(15)19(18(17)24)6-8-20-9-7-19/h2-5,10-12,17-18,20,24H,6-9,13H2,1H3/t17-,18+/m1/s1
InChIKeySPOXLZRJIVOTJZ-MSOLQXFVSA-N
XLogP1.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31004078) is (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(Cc1cnccn1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is SPOXLZRJIVOTJZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24N4O/c1-23(13-14-12-21-10-11-22-14)17-15-4-2-3-5-16(15)19(18(17)24)6-8-20-9-7-19/h2-5,10-12,17-18,20,24H,6-9,13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 324.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31004078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).