1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride

C25H26ClNO2 — CID 70578492

IUPAC1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
SMILESCOc1cccc2c1Oc1ccccc1C21CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C25H25NO2.ClH/c1-27-23-13-7-11-21-24(23)28-22-12-6-5-10-20(22)25(21)14-16-26(17-15-25)18-19-8-3-2-4-9-19;/h2-13H,14-18H2,1H3;1H
InChIKeyRIJUNCSXBISGIL-UHFFFAOYSA-N
MW407.94 g/mol
LogP5.80
Rot. Bonds3

About 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride

1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride (PubChem CID 70578492) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride.

Molecular Properties

Compound Name1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
PubChem CID70578492
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
SMILESCOc1cccc2c1Oc1ccccc1C21CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C25H25NO2.ClH/c1-27-23-13-7-11-21-24(23)28-22-12-6-5-10-20(22)25(21)14-16-26(17-15-25)18-19-8-3-2-4-9-19;/h2-13H,14-18H2,1H3;1H
InChIKeyRIJUNCSXBISGIL-UHFFFAOYSA-N
XLogP5.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
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1'-benzyl-2-(4-fluorophenyl)-7-methoxyspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
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CID 21294464
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
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spiro[piperidine-4,9'-xanthene]-4'-yl acetate
CID 70579384
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1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134808860
(10bR)-1'-benzyl-7-methoxy-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride?
The IUPAC name of 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride (CID 70578492) is 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride.
What is the SMILES notation for 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride?
The canonical SMILES for 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride is COc1cccc2c1Oc1ccccc1C21CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride?
The InChIKey is RIJUNCSXBISGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2.ClH/c1-27-23-13-7-11-21-24(23)28-22-12-6-5-10-20(22)25(21)14-16-26(17-15-25)18-19-8-3-2-4-9-19;/h2-13H,14-18H2,1H3;1H.
What are the key properties of 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride?
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride is sourced from PubChem (CID 70578492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).