spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride

C12H16ClNO — CID 22509330

IUPACspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKeySFQFBDOOIIHNMY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.22
Rot. Bonds

About spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride

spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride (PubChem CID 22509330) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
PubChem CID22509330
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Namespiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKeySFQFBDOOIIHNMY-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The IUPAC name of spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride (CID 22509330) is spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride.
What is the SMILES notation for spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The canonical SMILES for spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride is Cl.c1ccc2c(c1)COC21CCNCC1.
What is the InChIKey of spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The InChIKey is SFQFBDOOIIHNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H.
What are the key properties of spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 22509330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).