(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

C14H19NO2 — CID 169138120

IUPAC(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESC[C@H]1CC2(CCN1)OCCc1cc(O)ccc12
InChIInChI=1S/C14H19NO2/c1-10-9-14(5-6-15-10)13-3-2-12(16)8-11(13)4-7-17-14/h2-3,8,10,15-16H,4-7,9H2,1H3/t10-,14?/m0/s1
InChIKeyMKGRIBQFMGMCSN-XLLULAGJSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds

About (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (PubChem CID 169138120) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.

Molecular Properties

Compound Name(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
PubChem CID169138120
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESC[C@H]1CC2(CCN1)OCCc1cc(O)ccc12
InChIInChI=1S/C14H19NO2/c1-10-9-14(5-6-15-10)13-3-2-12(16)8-11(13)4-7-17-14/h2-3,8,10,15-16H,4-7,9H2,1H3/t10-,14?/m0/s1
InChIKeyMKGRIBQFMGMCSN-XLLULAGJSA-N
XLogP1.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The IUPAC name of (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (CID 169138120) is (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.
What is the SMILES notation for (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The canonical SMILES for (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is C[C@H]1CC2(CCN1)OCCc1cc(O)ccc12.
What is the InChIKey of (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The InChIKey is MKGRIBQFMGMCSN-XLLULAGJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-9-14(5-6-15-10)13-3-2-12(16)8-11(13)4-7-17-14/h2-3,8,10,15-16H,4-7,9H2,1H3/t10-,14?/m0/s1.
What are the key properties of (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
(2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol has a molecular weight of 233.31 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is sourced from PubChem (CID 169138120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).