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

C13H18ClNO — CID 69267820

IUPAC6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
SMILESCc1ccc2c(c1)COC21CCNCC1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyIBEXNZWCMGSKAO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.53
Rot. Bonds

About 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride

6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride (PubChem CID 69267820) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
PubChem CID69267820
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
SMILESCc1ccc2c(c1)COC21CCNCC1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyIBEXNZWCMGSKAO-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The IUPAC name of 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride (CID 69267820) is 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The canonical SMILES for 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride is Cc1ccc2c(c1)COC21CCNCC1.Cl.
What is the InChIKey of 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
The InChIKey is IBEXNZWCMGSKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13;/h2-3,8,14H,4-7,9H2,1H3;1H.
What are the key properties of 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride?
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 69267820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).