4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol

C22H30F2N4O — CID 165375352

IUPAC4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol
SMILESCc1nn(C)cc1C1CC(C)CC(N2CCC(O)(c3ccc(F)c(F)c3)CC2)N1
InChIInChI=1S/C22H30F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,12-14,20-21,25,29H,6-11H2,1-3H3
InChIKeyULOLEWPWFROMBP-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.38
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol

4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol (PubChem CID 165375352) has the molecular formula C22H30F2N4O and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol
PubChem CID165375352
Molecular FormulaC22H30F2N4O
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol
SMILESCc1nn(C)cc1C1CC(C)CC(N2CCC(O)(c3ccc(F)c(F)c3)CC2)N1
InChIInChI=1S/C22H30F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,12-14,20-21,25,29H,6-11H2,1-3H3
InChIKeyULOLEWPWFROMBP-UHFFFAOYSA-N
XLogP3.38
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol (CID 165375352) is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol is Cc1nn(C)cc1C1CC(C)CC(N2CCC(O)(c3ccc(F)c(F)c3)CC2)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol?
The InChIKey is ULOLEWPWFROMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,12-14,20-21,25,29H,6-11H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol?
4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol has a molecular weight of 404.51 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 165375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).