1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]

C14H21NO — CID 91216749

IUPAC1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=CC2=C(C1)OCC21CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-11-3-4-12-13(9-11)16-10-14(12)5-7-15(2)8-6-14/h3-4,11H,5-10H2,1-2H3
InChIKeyYDSORAQNPIBTTH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds

About 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]

1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine] (PubChem CID 91216749) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]
PubChem CID91216749
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=CC2=C(C1)OCC21CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-11-3-4-12-13(9-11)16-10-14(12)5-7-15(2)8-6-14/h3-4,11H,5-10H2,1-2H3
InChIKeyYDSORAQNPIBTTH-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine] (CID 91216749) is 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine] is CC1C=CC2=C(C1)OCC21CCN(C)CC1.
What is the InChIKey of 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is YDSORAQNPIBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-4-12-13(9-11)16-10-14(12)5-7-15(2)8-6-14/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine]?
1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 219.33 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',6-dimethylspiro[6,7-dihydro-2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 91216749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).