1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

C20H23ClFNO3 — CID 77083562

IUPAC1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCOc1cc(OC)c(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C20H23ClFNO3/c1-25-18-12-19(26-2)17(21)11-14(18)13-23-9-7-20(24,8-10-23)15-3-5-16(22)6-4-15/h3-6,11-12,24H,7-10,13H2,1-2H3
InChIKeyWYERVJJJHJENDG-UHFFFAOYSA-N
MW379.86 g/mol
LogP3.98
Rot. Bonds5

About 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 77083562) has the molecular formula C20H23ClFNO3 and a molecular weight of 379.86 g/mol. Its IUPAC name is 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID77083562
Molecular FormulaC20H23ClFNO3
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC Name1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCOc1cc(OC)c(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C20H23ClFNO3/c1-25-18-12-19(26-2)17(21)11-14(18)13-23-9-7-20(24,8-10-23)15-3-5-16(22)6-4-15/h3-6,11-12,24H,7-10,13H2,1-2H3
InChIKeyWYERVJJJHJENDG-UHFFFAOYSA-N
XLogP3.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (CID 77083562) is 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is COc1cc(OC)c(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is WYERVJJJHJENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO3/c1-25-18-12-19(26-2)17(21)11-14(18)13-23-9-7-20(24,8-10-23)15-3-5-16(22)6-4-15/h3-6,11-12,24H,7-10,13H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 379.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 77083562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).