1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]

C22H25NO — CID 23961281

IUPAC1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1C
InChIInChI=1S/C22H25NO/c1-17-15-18(7-8-21(17)24-2)16-23-13-11-22(12-14-23)10-9-19-5-3-4-6-20(19)22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMEROSKOSZMAPRU-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.56
Rot. Bonds3

About 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]

1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] (PubChem CID 23961281) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
PubChem CID23961281
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1C
InChIInChI=1S/C22H25NO/c1-17-15-18(7-8-21(17)24-2)16-23-13-11-22(12-14-23)10-9-19-5-3-4-6-20(19)22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMEROSKOSZMAPRU-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] with MolForge

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Related Compounds

1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223
1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 40554527
4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
CID 82291366
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1H-pyrrol-2-yl]methyl methanesulfonate
CID 141296715
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
6-methyl-2-[4-[[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938342
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 26322515
1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]
CID 57403720

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] (CID 23961281) is 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] is COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1C.
What is the InChIKey of 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]?
The InChIKey is MEROSKOSZMAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-17-15-18(7-8-21(17)24-2)16-23-13-11-22(12-14-23)10-9-19-5-3-4-6-20(19)22/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]?
1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] has a molecular weight of 319.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 23961281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).