(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C17H19ClN4 — CID 148763181

IUPAC(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(Cl)cn1)CC2
InChIInChI=1S/C17H19ClN4/c18-14-10-21-15(11-20-14)22-7-5-17(6-8-22)9-12-3-1-2-4-13(12)16(17)19/h1-4,10-11,16H,5-9,19H2/t16-/m1/s1
InChIKeyOGYKRIYTNOQJKM-MRXNPFEDSA-N
MW314.82 g/mol
LogP2.97
Rot. Bonds1

About (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 148763181) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID148763181
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc(Cl)cn1)CC2
InChIInChI=1S/C17H19ClN4/c18-14-10-21-15(11-20-14)22-7-5-17(6-8-22)9-12-3-1-2-4-13(12)16(17)19/h1-4,10-11,16H,5-9,19H2/t16-/m1/s1
InChIKeyOGYKRIYTNOQJKM-MRXNPFEDSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 148763181) is (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc(Cl)cn1)CC2.
What is the InChIKey of (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is OGYKRIYTNOQJKM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN4/c18-14-10-21-15(11-20-14)22-7-5-17(6-8-22)9-12-3-1-2-4-13(12)16(17)19/h1-4,10-11,16H,5-9,19H2/t16-/m1/s1.
What are the key properties of (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 314.82 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 148763181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).