spiro[isochromene-3,4'-piperidine]

C13H15NO — CID 87563605

IUPACspiro[isochromene-3,4'-piperidine]
SMILESC1=c2ccccc2=CC2(CCNCC2)O1
InChIInChI=1S/C13H15NO/c1-2-4-12-10-15-13(9-11(12)3-1)5-7-14-8-6-13/h1-4,9-10,14H,5-8H2
InChIKeyZMSPWDUZXTYCQX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.36
Rot. Bonds

About spiro[isochromene-3,4'-piperidine]

spiro[isochromene-3,4'-piperidine] (PubChem CID 87563605) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is spiro[isochromene-3,4'-piperidine].

Molecular Properties

Compound Namespiro[isochromene-3,4'-piperidine]
PubChem CID87563605
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namespiro[isochromene-3,4'-piperidine]
SMILESC1=c2ccccc2=CC2(CCNCC2)O1
InChIInChI=1S/C13H15NO/c1-2-4-12-10-15-13(9-11(12)3-1)5-7-14-8-6-13/h1-4,9-10,14H,5-8H2
InChIKeyZMSPWDUZXTYCQX-UHFFFAOYSA-N
XLogP0.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[isochromene-3,4'-piperidine]?
The IUPAC name of spiro[isochromene-3,4'-piperidine] (CID 87563605) is spiro[isochromene-3,4'-piperidine].
What is the SMILES notation for spiro[isochromene-3,4'-piperidine]?
The canonical SMILES for spiro[isochromene-3,4'-piperidine] is C1=c2ccccc2=CC2(CCNCC2)O1.
What is the InChIKey of spiro[isochromene-3,4'-piperidine]?
The InChIKey is ZMSPWDUZXTYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-4-12-10-15-13(9-11(12)3-1)5-7-14-8-6-13/h1-4,9-10,14H,5-8H2.
What are the key properties of spiro[isochromene-3,4'-piperidine]?
spiro[isochromene-3,4'-piperidine] has a molecular weight of 201.27 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[isochromene-3,4'-piperidine] is sourced from PubChem (CID 87563605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).