spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

C13H17NO2 — CID 139598894

IUPACspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESOc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C13H17NO2/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13/h1-2,9,14-15H,3-8H2
InChIKeyCZTXIZMOVLPWOB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.54
Rot. Bonds

About spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (PubChem CID 139598894) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.

Molecular Properties

Compound Namespiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
PubChem CID139598894
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namespiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESOc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C13H17NO2/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13/h1-2,9,14-15H,3-8H2
InChIKeyCZTXIZMOVLPWOB-UHFFFAOYSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The IUPAC name of spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (CID 139598894) is spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.
What is the SMILES notation for spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The canonical SMILES for spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is Oc1ccc2c(c1)CCOC21CCNCC1.
What is the InChIKey of spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The InChIKey is CZTXIZMOVLPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13/h1-2,9,14-15H,3-8H2.
What are the key properties of spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol has a molecular weight of 219.28 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is sourced from PubChem (CID 139598894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).