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

C19H23NO — CID 12542639

IUPAC4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
SMILESCN1CCC(c2ccccc2Cc2ccc(O)cc2)CC1
InChIInChI=1S/C19H23NO/c1-20-12-10-16(11-13-20)19-5-3-2-4-17(19)14-15-6-8-18(21)9-7-15/h2-9,16,21H,10-14H2,1H3
InChIKeyYBURREPYYRGVTK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.79
Rot. Bonds3

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

4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol (PubChem CID 12542639) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
PubChem CID12542639
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
SMILESCN1CCC(c2ccccc2Cc2ccc(O)cc2)CC1
InChIInChI=1S/C19H23NO/c1-20-12-10-16(11-13-20)19-5-3-2-4-17(19)14-15-6-8-18(21)9-7-15/h2-9,16,21H,10-14H2,1H3
InChIKeyYBURREPYYRGVTK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol?
The IUPAC name of 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol (CID 12542639) is 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol.
What is the SMILES notation for 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol?
The canonical SMILES for 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol is CN1CCC(c2ccccc2Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol?
The InChIKey is YBURREPYYRGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-12-10-16(11-13-20)19-5-3-2-4-17(19)14-15-6-8-18(21)9-7-15/h2-9,16,21H,10-14H2,1H3.
What are the key properties of 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol?
4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol is sourced from PubChem (CID 12542639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).