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

C16H27NO — CID 163403209

IUPACethane;spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC.CC.c1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO.2C2H6/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;2*1-2/h1-4,13H,5-9H2;2*1-2H3
InChIKeyJMTRRQLNXGRWDH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds

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

ethane;spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 163403209) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Nameethane;spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID163403209
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC.CC.c1ccc2c(c1)COC21CCNCC1
InChIInChI=1S/C12H15NO.2C2H6/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;2*1-2/h1-4,13H,5-9H2;2*1-2H3
InChIKeyJMTRRQLNXGRWDH-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 20562141
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 118174279
3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol
CID 142182684
(3R)-1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-azepane]
CID 59320735
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-carboxylic acid
CID 59320740
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of ethane;spiro[1H-2-benzofuran-3,4'-piperidine] (CID 163403209) is ethane;spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for ethane;spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for ethane;spiro[1H-2-benzofuran-3,4'-piperidine] is CC.CC.c1ccc2c(c1)COC21CCNCC1.
What is the InChIKey of ethane;spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is JMTRRQLNXGRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2C2H6/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;2*1-2/h1-4,13H,5-9H2;2*1-2H3.
What are the key properties of ethane;spiro[1H-2-benzofuran-3,4'-piperidine]?
ethane;spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 249.40 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 163403209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).