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

C13H16ClNO2 — CID 169138396

IUPAC7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESOc1cc2c(cc1Cl)C1(CCNCC1)OCC2
InChIInChI=1S/C13H16ClNO2/c14-11-8-10-9(7-12(11)16)1-6-17-13(10)2-4-15-5-3-13/h7-8,15-16H,1-6H2
InChIKeyHNLLXJGNTWGTOK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.20
Rot. Bonds

About 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (PubChem CID 169138396) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.

Molecular Properties

Compound Name7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
PubChem CID169138396
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESOc1cc2c(cc1Cl)C1(CCNCC1)OCC2
InChIInChI=1S/C13H16ClNO2/c14-11-8-10-9(7-12(11)16)1-6-17-13(10)2-4-15-5-3-13/h7-8,15-16H,1-6H2
InChIKeyHNLLXJGNTWGTOK-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The IUPAC name of 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (CID 169138396) is 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.
What is the SMILES notation for 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The canonical SMILES for 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is Oc1cc2c(cc1Cl)C1(CCNCC1)OCC2.
What is the InChIKey of 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The InChIKey is HNLLXJGNTWGTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-8-10-9(7-12(11)16)1-6-17-13(10)2-4-15-5-3-13/h7-8,15-16H,1-6H2.
What are the key properties of 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol has a molecular weight of 253.73 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is sourced from PubChem (CID 169138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).