4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol

C26H29NO3 — CID 45223118

IUPAC4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CN3CCC(c4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H29NO3/c1-29-23-9-11-26(30-2)24(17-23)21-8-10-25(28)22(16-21)18-27-14-12-20(13-15-27)19-6-4-3-5-7-19/h3-11,16-17,20,28H,12-15,18H2,1-2H3
InChIKeyFBLWYWDCYVIZCL-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.46
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol

4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol (PubChem CID 45223118) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
PubChem CID45223118
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CN3CCC(c4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H29NO3/c1-29-23-9-11-26(30-2)24(17-23)21-8-10-25(28)22(16-21)18-27-14-12-20(13-15-27)19-6-4-3-5-7-19/h3-11,16-17,20,28H,12-15,18H2,1-2H3
InChIKeyFBLWYWDCYVIZCL-UHFFFAOYSA-N
XLogP5.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol (CID 45223118) is 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol is COc1ccc(OC)c(-c2ccc(O)c(CN3CCC(c4ccccc4)CC3)c2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol?
The InChIKey is FBLWYWDCYVIZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-29-23-9-11-26(30-2)24(17-23)21-8-10-25(28)22(16-21)18-27-14-12-20(13-15-27)19-6-4-3-5-7-19/h3-11,16-17,20,28H,12-15,18H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol?
4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol has a molecular weight of 403.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 45223118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).