1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]

C20H23NO — CID 12706476

IUPAC1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)COCc2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-2-6-17(7-3-1)14-21-12-10-20(11-13-21)16-22-15-18-8-4-5-9-19(18)20/h1-9H,10-16H2
InChIKeyBDQSEUUZQUPTHA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.75
Rot. Bonds2

About 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]

1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine] (PubChem CID 12706476) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
PubChem CID12706476
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)COCc2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-2-6-17(7-3-1)14-21-12-10-20(11-13-21)16-22-15-18-8-4-5-9-19(18)20/h1-9H,10-16H2
InChIKeyBDQSEUUZQUPTHA-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1'-benzylspiro[1H-naphthalene-4,4'-piperidine]
CID 22012211
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 15163149
(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
CID 123311367
(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
CID 22961021
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
CID 827171
1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide
CID 10782325

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine] (CID 12706476) is 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine] is c1ccc(CN2CCC3(CC2)COCc2ccccc23)cc1.
What is the InChIKey of 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]?
The InChIKey is BDQSEUUZQUPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-6-17(7-3-1)14-21-12-10-20(11-13-21)16-22-15-18-8-4-5-9-19(18)20/h1-9H,10-16H2.
What are the key properties of 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]?
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine] has a molecular weight of 293.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine] is sourced from PubChem (CID 12706476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).