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

C18H25NO — CID 58035370

IUPAC1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)CC1(CCN(C3CCCCC3)CC1)O2
InChIInChI=1S/C18H25NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17(15)20-18/h4-6,9,16H,1-3,7-8,10-14H2
InChIKeyMTJCWLJBFJFFOI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.79
Rot. Bonds1

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

1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 58035370) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID58035370
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)CC1(CCN(C3CCCCC3)CC1)O2
InChIInChI=1S/C18H25NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17(15)20-18/h4-6,9,16H,1-3,7-8,10-14H2
InChIKeyMTJCWLJBFJFFOI-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 70607000
1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 66821989
1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
CID 66821868
1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 66821876
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
1'-cyclohexyl-N-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-7-carboxamide
CID 122619555
(8R,9aR)-5'-bromospiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran];(8S,9aS)-5'-methylspiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran];methane
CID 158378765
8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 91573900
spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
CID 105468819
5-bromo-1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(4-methylpiperazin-1-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1-methylpiperazine
CID 160619246
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613

Frequently Asked Questions

What is the IUPAC name of 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 58035370) is 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine] is c1ccc2c(c1)CC1(CCN(C3CCCCC3)CC1)O2.
What is the InChIKey of 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is MTJCWLJBFJFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17(15)20-18/h4-6,9,16H,1-3,7-8,10-14H2.
What are the key properties of 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]?
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 271.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 58035370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).