1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C22H27NO — CID 15163149

IUPAC1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27NO/c1-24-20-10-8-18(9-11-20)17-23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)22/h2-3,5,7-11H,4,6,12-17H2,1H3
InChIKeyPUCIJQFBXXTCMC-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.57
Rot. Bonds3

About 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 15163149) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID15163149
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27NO/c1-24-20-10-8-18(9-11-20)17-23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)22/h2-3,5,7-11H,4,6,12-17H2,1H3
InChIKeyPUCIJQFBXXTCMC-UHFFFAOYSA-N
XLogP4.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 15163149) is 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is COc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is PUCIJQFBXXTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-24-20-10-8-18(9-11-20)17-23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)22/h2-3,5,7-11H,4,6,12-17H2,1H3.
What are the key properties of 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 321.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 15163149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).