[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

C18H22N4O — CID 147199400

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nccnc1CO)CC2
InChIInChI=1S/C18H22N4O/c19-16-14-4-2-1-3-13(14)11-18(16)5-9-22(10-6-18)17-15(12-23)20-7-8-21-17/h1-4,7-8,16,23H,5-6,9-12,19H2/t16-/m1/s1
InChIKeyCDAAZVWUMOOFAP-MRXNPFEDSA-N
MW310.40 g/mol
LogP1.81
Rot. Bonds2

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (PubChem CID 147199400) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
PubChem CID147199400
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nccnc1CO)CC2
InChIInChI=1S/C18H22N4O/c19-16-14-4-2-1-3-13(14)11-18(16)5-9-22(10-6-18)17-15(12-23)20-7-8-21-17/h1-4,7-8,16,23H,5-6,9-12,19H2/t16-/m1/s1
InChIKeyCDAAZVWUMOOFAP-MRXNPFEDSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (CID 147199400) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1nccnc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The InChIKey is CDAAZVWUMOOFAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c19-16-14-4-2-1-3-13(14)11-18(16)5-9-22(10-6-18)17-15(12-23)20-7-8-21-17/h1-4,7-8,16,23H,5-6,9-12,19H2/t16-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 147199400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).