6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]

C17H25NO2 — CID 82045864

IUPAC6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)COc1ccc2c(c1)CCC1(CCNCC1)O2
InChIInChI=1S/C17H25NO2/c1-13(2)12-19-15-3-4-16-14(11-15)5-6-17(20-16)7-9-18-10-8-17/h3-4,11,13,18H,5-10,12H2,1-2H3
InChIKeyXLRJLNQHQNUJBS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds3

About 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]

6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 82045864) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID82045864
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)COc1ccc2c(c1)CCC1(CCNCC1)O2
InChIInChI=1S/C17H25NO2/c1-13(2)12-19-15-3-4-16-14(11-15)5-6-17(20-16)7-9-18-10-8-17/h3-4,11,13,18H,5-10,12H2,1-2H3
InChIKeyXLRJLNQHQNUJBS-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 158107233
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(6-spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl-3-pyridinyl)methanol
CID 149160605
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 58198985
6-(2-methylpropoxy)-3,4-dihydroisoquinoline
CID 19748099
2,2-diethoxy-6-methoxy-3,4-dihydrochromene
CID 131862776

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 82045864) is 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] is CC(C)COc1ccc2c(c1)CCC1(CCNCC1)O2.
What is the InChIKey of 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is XLRJLNQHQNUJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)12-19-15-3-4-16-14(11-15)5-6-17(20-16)7-9-18-10-8-17/h3-4,11,13,18H,5-10,12H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 275.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 82045864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).