4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol

C19H23NO — CID 3843964

IUPAC4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
SMILESCc1ccc(O)c(C(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C19H23NO/c1-15-10-11-18(21)17(14-15)19(16-8-4-2-5-9-16)20-12-6-3-7-13-20/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3
InChIKeyMNVILXTYVPVWLJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.28
Rot. Bonds3

About 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol

4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol (PubChem CID 3843964) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
PubChem CID3843964
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
SMILESCc1ccc(O)c(C(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C19H23NO/c1-15-10-11-18(21)17(14-15)19(16-8-4-2-5-9-16)20-12-6-3-7-13-20/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3
InChIKeyMNVILXTYVPVWLJ-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol
CID 10641197
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
2-(2-hydroxy-5-methylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 84757120
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 97458570
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
CID 141365807
1-[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-phenoxyethanone
CID 97458623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol?
The IUPAC name of 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol (CID 3843964) is 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol is Cc1ccc(O)c(C(c2ccccc2)N2CCCCC2)c1.
What is the InChIKey of 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol?
The InChIKey is MNVILXTYVPVWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-10-11-18(21)17(14-15)19(16-8-4-2-5-9-16)20-12-6-3-7-13-20/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3.
What are the key properties of 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol?
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol is sourced from PubChem (CID 3843964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).