[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride

C19H25ClN4O — CID 155774215

IUPAC[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
SMILESCc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)n1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-13-11-21-16(12-24)18(22-13)23-8-6-19(7-9-23)10-14-4-2-3-5-15(14)17(19)20;/h2-5,11,17,24H,6-10,12,20H2,1H3;1H/t17-;/m0./s1
InChIKeyOJKRIAJNBMUVNF-LMOVPXPDSA-N
MW360.89 g/mol
LogP2.54
Rot. Bonds2

About [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride

[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride (PubChem CID 155774215) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
PubChem CID155774215
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
SMILESCc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)n1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-13-11-21-16(12-24)18(22-13)23-8-6-19(7-9-23)10-14-4-2-3-5-15(14)17(19)20;/h2-5,11,17,24H,6-10,12,20H2,1H3;1H/t17-;/m0./s1
InChIKeyOJKRIAJNBMUVNF-LMOVPXPDSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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US10934302, Example 123
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US10934302, Example 121
CID 150301762
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CID 150817302
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CID 155774166
US10934302, Example 211
CID 155774193
US10934302, Example 257
CID 156102912
US20230339882, Example A61
CID 162680664
US20230339882, Example A07
CID 168858903

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride?
The IUPAC name of [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride (CID 155774215) is [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride?
The canonical SMILES for [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride is Cc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)n1.Cl.
What is the InChIKey of [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride?
The InChIKey is OJKRIAJNBMUVNF-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-13-11-21-16(12-24)18(22-13)23-8-6-19(7-9-23)10-14-4-2-3-5-15(14)17(19)20;/h2-5,11,17,24H,6-10,12,20H2,1H3;1H/t17-;/m0./s1.
What are the key properties of [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride?
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 155774215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).