1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C23H29NO3 — CID 10959541

IUPAC1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCOC(CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21)OC
InChIInChI=1S/C23H29NO3/c1-25-22(26-2)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3
InChIKeyDRDFOGWSHNCLJO-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.26
Rot. Bonds6

About 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10959541) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10959541
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCOC(CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21)OC
InChIInChI=1S/C23H29NO3/c1-25-22(26-2)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3
InChIKeyDRDFOGWSHNCLJO-UHFFFAOYSA-N
XLogP4.26
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 24781900
1'-benzyl-3-methoxyspiro[3H-2-benzoxepine-1,4'-piperidine]
CID 11002181
1'-benzyl-3-ethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 11782688
1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676938
1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 91666200
ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
CID 25167286
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-[4-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]-1-yl)phenyl]ethanone
CID 56652225
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10959541) is 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is COC(CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21)OC.
What is the InChIKey of 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is DRDFOGWSHNCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-25-22(26-2)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3.
What are the key properties of 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 367.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10959541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).