1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

C19H21NO2 — CID 45487199

IUPAC1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCc2ccccc2O3)cc1
InChIInChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
InChIKeyYYUPFHGOZHWFOC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.59
Rot. Bonds2

About 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 45487199) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID45487199
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCc2ccccc2O3)cc1
InChIInChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
InChIKeyYYUPFHGOZHWFOC-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
1''-Benzylspiro[chroman-2,4''-piperidine]
CID 10661409
1-Methyl-4-xanthen-9-ylidene-piperidine
CID 10039173
4-Benzyl-1-chroman-3-ylmethyl-piperidine
CID 11152527
1-Benzyl-4-chroman-3-ylmethyl-piperazine
CID 11338418
1-[2-(Allyloxy)benzyl]-4-benzylpiperidine
CID 2053518
N-benzyl-3-(2-sec-butylphenoxy)-N-methyl-1-propanamine
CID 2936074
1-[3-(2-Benzylphenoxy)propyl]piperidine
CID 3359700
1''-phenethylspiro[3,4-dihydro-2H-chromene-2,4''-(hexahydropyridine)]
CID 11141325
Piperidine, 1-(2H-1-benzopyran-3-ylmethyl)-, hydrochloride
CID 3068797
[1-[2-(Allyloxy)benzyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
CID 16191197
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(3,4-dihydroisoquinoline)
CID 25156416

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 45487199) is 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCc2ccccc2O3)cc1.
What is the InChIKey of 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is YYUPFHGOZHWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2.
What are the key properties of 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 295.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 45487199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).