1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol

C18H21ClFNO — CID 23323776

IUPAC1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol
SMILESCN1CCC(O)CC1.Fc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF.C6H13NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;1-7-4-2-6(8)3-5-7/h1-8H;6,8H,2-5H2,1H3
InChIKeyYSHYSGSKHZEDRQ-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.22
Rot. Bonds1

About 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol

1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol (PubChem CID 23323776) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol
PubChem CID23323776
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol
SMILESCN1CCC(O)CC1.Fc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF.C6H13NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;1-7-4-2-6(8)3-5-7/h1-8H;6,8H,2-5H2,1H3
InChIKeyYSHYSGSKHZEDRQ-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol?
The IUPAC name of 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol (CID 23323776) is 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol.
What is the SMILES notation for 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol?
The canonical SMILES for 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol is CN1CCC(O)CC1.Fc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol?
The InChIKey is YSHYSGSKHZEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF.C6H13NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;1-7-4-2-6(8)3-5-7/h1-8H;6,8H,2-5H2,1H3.
What are the key properties of 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol?
1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol has a molecular weight of 321.82 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol is sourced from PubChem (CID 23323776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).