4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol

C27H36F4N2O2 — CID 158903021

IUPAC4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(F)c2F)CC1.CCN1CCC(O)(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2NO.C13H17F2NO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16;1-2-16-8-6-13(17,7-9-16)10-4-3-5-11(14)12(10)15/h3-5,18H,2,6-10H2,1H3;3-5,17H,2,6-9H2,1H3
InChIKeyJFRLXILQAQLMBO-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.93
Rot. Bonds5

About 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol

4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol (PubChem CID 158903021) has the molecular formula C27H36F4N2O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
PubChem CID158903021
Molecular FormulaC27H36F4N2O2
Molecular Weight496.59 g/mol
Exact Mass496.27
IUPAC Name4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(F)c2F)CC1.CCN1CCC(O)(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2NO.C13H17F2NO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16;1-2-16-8-6-13(17,7-9-16)10-4-3-5-11(14)12(10)15/h3-5,18H,2,6-10H2,1H3;3-5,17H,2,6-9H2,1H3
InChIKeyJFRLXILQAQLMBO-UHFFFAOYSA-N
XLogP4.93
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluorophenyl)-1-ethylazetidin-3-ol
CID 46208104
4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 65147067
4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol
CID 107512253
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
CID 3228845
4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
CID 114601118
4-(5-bromo-2-fluorophenyl)-1-propylazepan-4-ol
CID 79742449
1-ethyl-4-(2-propoxyphenyl)piperidin-4-ol
CID 104658514
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
1,3-dichloro-2-(2,3-difluorophenyl)propan-2-ol;3-(2,3-difluorophenyl)-1-ethylazetidin-3-ol
CID 162253748
4-(2-ethoxyphenyl)-1-propylazepan-4-ol
CID 65077808
1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol
CID 68815496
4-(2,4-difluorophenyl)-1-ethylazepan-4-ol
CID 65077357

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol?
The IUPAC name of 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol (CID 158903021) is 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2cccc(F)c2F)CC1.CCN1CCC(O)(c2cccc(F)c2F)CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol?
The InChIKey is JFRLXILQAQLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO.C13H17F2NO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16;1-2-16-8-6-13(17,7-9-16)10-4-3-5-11(14)12(10)15/h3-5,18H,2,6-10H2,1H3;3-5,17H,2,6-9H2,1H3.
What are the key properties of 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol?
4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol has a molecular weight of 496.59 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 158903021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).