2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol

C15H20F3NO — CID 142021079

IUPAC2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol
SMILESCN1CCC(CC(F)(F)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-19-8-6-11(7-9-19)10-15(17,18)14(20)12-2-4-13(16)5-3-12/h2-5,11,14,20H,6-10H2,1H3
InChIKeyQEXOFPYQDQHYRB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.23
Rot. Bonds4

About 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol

2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol (PubChem CID 142021079) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol
PubChem CID142021079
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol
SMILESCN1CCC(CC(F)(F)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-19-8-6-11(7-9-19)10-15(17,18)14(20)12-2-4-13(16)5-3-12/h2-5,11,14,20H,6-10H2,1H3
InChIKeyQEXOFPYQDQHYRB-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol (CID 142021079) is 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol is CN1CCC(CC(F)(F)C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol?
The InChIKey is QEXOFPYQDQHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-8-6-11(7-9-19)10-15(17,18)14(20)12-2-4-13(16)5-3-12/h2-5,11,14,20H,6-10H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol?
2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 142021079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).