spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride

C13H16ClNO2 — CID 12704137

IUPACspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)Cc2ccccc21
InChIInChI=1S/C13H15NO2.ClH/c15-12-11-4-2-1-3-10(11)9-13(16-12)5-7-14-8-6-13;/h1-4,14H,5-9H2;1H
InChIKeyBENYHUNHQCUDFZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.94
Rot. Bonds

About spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride

spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride (PubChem CID 12704137) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Namespiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
PubChem CID12704137
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namespiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)Cc2ccccc21
InChIInChI=1S/C13H15NO2.ClH/c15-12-11-4-2-1-3-10(11)9-13(16-12)5-7-14-8-6-13;/h1-4,14H,5-9H2;1H
InChIKeyBENYHUNHQCUDFZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-butylspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704121
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
1'-decylspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12706469
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate
CID 175930136
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318076
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018

Frequently Asked Questions

What is the IUPAC name of spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride (CID 12704137) is spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride is Cl.O=C1OC2(CCNCC2)Cc2ccccc21.
What is the InChIKey of spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride?
The InChIKey is BENYHUNHQCUDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c15-12-11-4-2-1-3-10(11)9-13(16-12)5-7-14-8-6-13;/h1-4,14H,5-9H2;1H.
What are the key properties of spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride?
spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 12704137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).