1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

C25H30FN3O2 — CID 16676312

IUPAC1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)n[nH]c1C
InChIInChI=1S/C25H30FN3O2/c1-17-21(18(2)28-27-17)15-20-14-19(8-9-24(20)31-3)16-29-12-10-25(30,11-13-29)22-6-4-5-7-23(22)26/h4-9,14,30H,10-13,15-16H2,1-3H3,(H,27,28)
InChIKeyUMKXJPDWSXPFAC-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.25
Rot. Bonds6

About 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16676312) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16676312
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)n[nH]c1C
InChIInChI=1S/C25H30FN3O2/c1-17-21(18(2)28-27-17)15-20-14-19(8-9-24(20)31-3)16-29-12-10-25(30,11-13-29)22-6-4-5-7-23(22)26/h4-9,14,30H,10-13,15-16H2,1-3H3,(H,27,28)
InChIKeyUMKXJPDWSXPFAC-UHFFFAOYSA-N
XLogP4.25
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 16676312) is 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)n[nH]c1C.
What is the InChIKey of 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is UMKXJPDWSXPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-17-21(18(2)28-27-17)15-20-14-19(8-9-24(20)31-3)16-29-12-10-25(30,11-13-29)22-6-4-5-7-23(22)26/h4-9,14,30H,10-13,15-16H2,1-3H3,(H,27,28).
What are the key properties of 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 423.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16676312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).