(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol

C21H25NO2 — CID 11110106

IUPAC(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol
SMILESOCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2
InChIKeyCRSFUCQCELFSBT-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.11
Rot. Bonds3

About (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol

(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol (PubChem CID 11110106) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol.

Molecular Properties

Compound Name(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol
PubChem CID11110106
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol
SMILESOCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2
InChIKeyCRSFUCQCELFSBT-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol?
The IUPAC name of (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol (CID 11110106) is (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol.
What is the SMILES notation for (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol?
The canonical SMILES for (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol is OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol?
The InChIKey is CRSFUCQCELFSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2.
What are the key properties of (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol?
(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol has a molecular weight of 323.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)methanol is sourced from PubChem (CID 11110106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).