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

C12H15NO — CID 10442498

IUPACspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKeyBYOIMOJOKVUNTP-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds

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

spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10442498) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10442498
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namespiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKeyBYOIMOJOKVUNTP-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylmorpholine
CID 91101
Talopram
CID 23573
Talopram Hydrochloride
CID 71176
1''-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10019485
1''-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10041768
1''-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10245905
1''-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10315820
1''-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10359602
1''-(2-phenylpropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10380513
4-(Benzyloxy)piperidine
CID 3157460
1'-(cyclohexylmethyl)-1-(3-fluoropropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 45483149
1'-(cyclohexylmethyl)-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53316463

Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10442498) is spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc2c(c1)COC21CCNCC1.
What is the InChIKey of spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is BYOIMOJOKVUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2.
What are the key properties of spiro[1H-2-benzofuran-3,4'-piperidine]?
spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 189.26 g/mol, XLogP of 1.80, 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] is sourced from PubChem (CID 10442498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).