(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]

C14H19NO2 — CID 44515417

IUPAC(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
SMILESCO[C@@H]1Cc2ccccc2[C@]2(CCCNC2)O1
InChIInChI=1S/C14H19NO2/c1-16-13-9-11-5-2-3-6-12(11)14(17-13)7-4-8-15-10-14/h2-3,5-6,13,15H,4,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyMEIJIGYWUBUKGQ-UONOGXRCSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds1

About (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]

(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine] (PubChem CID 44515417) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine].

Molecular Properties

Compound Name(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
PubChem CID44515417
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
SMILESCO[C@@H]1Cc2ccccc2[C@]2(CCCNC2)O1
InChIInChI=1S/C14H19NO2/c1-16-13-9-11-5-2-3-6-12(11)14(17-13)7-4-8-15-10-14/h2-3,5-6,13,15H,4,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyMEIJIGYWUBUKGQ-UONOGXRCSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxyspiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-one
CID 138958425
(1R,3S)-1'-decyl-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 24781895
(1S,3S)-1'-decyl-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 44515736
(1R,3R)-3-methoxy-1'-octylspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 68949329
(1R,3R)-1'-butyl-3-methoxyspiro[3,4-dihydroisochromene-1,3'-pyrrolidine]
CID 90713797
6'-ethylspiro[1,2-dihydroindene-3,2'-morpholine]
CID 65122572
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
3-methoxy-3-(2-methoxyphenyl)piperidine
CID 83822639
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 141149010
5-methoxy-1,2,3,4-tetrahydro-3-benzazepin-5-ol
CID 126650795

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]?
The IUPAC name of (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine] (CID 44515417) is (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine].
What is the SMILES notation for (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]?
The canonical SMILES for (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine] is CO[C@@H]1Cc2ccccc2[C@]2(CCCNC2)O1.
What is the InChIKey of (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]?
The InChIKey is MEIJIGYWUBUKGQ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-9-11-5-2-3-6-12(11)14(17-13)7-4-8-15-10-14/h2-3,5-6,13,15H,4,7-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]?
(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine] has a molecular weight of 233.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine] is sourced from PubChem (CID 44515417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).