4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol

C20H24FNO — CID 12804754

IUPAC4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol
SMILESCc1ccc(Cc2ccccc2C2(O)CCN(C)CC2)c(F)c1
InChIInChI=1S/C20H24FNO/c1-15-7-8-17(19(21)13-15)14-16-5-3-4-6-18(16)20(23)9-11-22(2)12-10-20/h3-8,13,23H,9-12,14H2,1-2H3
InChIKeyJDMMHPZAIOOPSM-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.64
Rot. Bonds3

About 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol

4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol (PubChem CID 12804754) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol
PubChem CID12804754
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol
SMILESCc1ccc(Cc2ccccc2C2(O)CCN(C)CC2)c(F)c1
InChIInChI=1S/C20H24FNO/c1-15-7-8-17(19(21)13-15)14-16-5-3-4-6-18(16)20(23)9-11-22(2)12-10-20/h3-8,13,23H,9-12,14H2,1-2H3
InChIKeyJDMMHPZAIOOPSM-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol (CID 12804754) is 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol is Cc1ccc(Cc2ccccc2C2(O)CCN(C)CC2)c(F)c1.
What is the InChIKey of 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol?
The InChIKey is JDMMHPZAIOOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-15-7-8-17(19(21)13-15)14-16-5-3-4-6-18(16)20(23)9-11-22(2)12-10-20/h3-8,13,23H,9-12,14H2,1-2H3.
What are the key properties of 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol?
4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol has a molecular weight of 313.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 12804754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).