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

C15H23NO2 — CID 169138109

IUPACethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESCC.Oc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C13H17NO2.C2H6/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13;1-2/h1-2,9,14-15H,3-8H2;1-2H3
InChIKeyCWGJWIUHCPYMPX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.57
Rot. Bonds

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

ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (PubChem CID 169138109) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.

Molecular Properties

Compound Nameethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
PubChem CID169138109
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESCC.Oc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C13H17NO2.C2H6/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13;1-2/h1-2,9,14-15H,3-8H2;1-2H3
InChIKeyCWGJWIUHCPYMPX-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The IUPAC name of ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (CID 169138109) is ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.
What is the SMILES notation for ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The canonical SMILES for ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is CC.Oc1ccc2c(c1)CCOC21CCNCC1.
What is the InChIKey of ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The InChIKey is CWGJWIUHCPYMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c15-11-1-2-12-10(9-11)3-8-16-13(12)4-6-14-7-5-13;1-2/h1-2,9,14-15H,3-8H2;1-2H3.
What are the key properties of ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol has a molecular weight of 249.35 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is sourced from PubChem (CID 169138109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).