1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

C19H23ClN2 — CID 54585733

IUPAC1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)nc1
InChIInChI=1S/C19H22N2.ClH/c1-2-7-18-16(5-1)8-9-19(18)10-13-21(14-11-19)15-17-6-3-4-12-20-17;/h1-7,12H,8-11,13-15H2;1H
InChIKeyXLMZGUMWYAZBSZ-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.98
Rot. Bonds2

About 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54585733) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54585733
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)nc1
InChIInChI=1S/C19H22N2.ClH/c1-2-7-18-16(5-1)8-9-19(18)10-13-21(14-11-19)15-17-6-3-4-12-20-17;/h1-7,12H,8-11,13-15H2;1H
InChIKeyXLMZGUMWYAZBSZ-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54585733) is 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is Cl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)nc1.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is XLMZGUMWYAZBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c1-2-7-18-16(5-1)8-9-19(18)10-13-21(14-11-19)15-17-6-3-4-12-20-17;/h1-7,12H,8-11,13-15H2;1H.
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54585733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).