4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol

C19H21NO2 — CID 13467567

IUPAC4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol
SMILESCN1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-16(11-13-20)19(14-2-6-17(21)7-3-14)15-4-8-18(22)9-5-15/h2-9,21-22H,10-13H2,1H3
InChIKeyZEAWPRSFCLYWNS-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.63
Rot. Bonds2

About 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol

4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol (PubChem CID 13467567) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol
PubChem CID13467567
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol
SMILESCN1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-16(11-13-20)19(14-2-6-17(21)7-3-14)15-4-8-18(22)9-5-15/h2-9,21-22H,10-13H2,1H3
InChIKeyZEAWPRSFCLYWNS-UHFFFAOYSA-N
XLogP3.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol (CID 13467567) is 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol is CN1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol?
The InChIKey is ZEAWPRSFCLYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-12-10-16(11-13-20)19(14-2-6-17(21)7-3-14)15-4-8-18(22)9-5-15/h2-9,21-22H,10-13H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol?
4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol has a molecular weight of 295.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol is sourced from PubChem (CID 13467567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).